AI65883
99367-44-9 | Ethyl 5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI65883
ChemicalName
Ethyl 5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CasNumber
99367-44-9
MolecularFormula
C12H12N2O4
MolecularWeight
248.2347
MdlNumber
MFCD20441302
Smiles
CCOC(=O)c1nnc(o1)c1ccc(cc1)OC
Complexity
279
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
6
RotatableBondCount
5
Xlogp3
1.9
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CatalogNumber: AI65883
ChemicalName: Ethyl 5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CasNumber: 99367-44-9
MolecularFormula: C12H12N2O4
MolecularWeight: 248.2347
MdlNumber: MFCD20441302
Smiles: CCOC(=O)c1nnc(o1)c1ccc(cc1)OC
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
RotatableBondCount: 5
Xlogp3: 1.9
CatalogNumber:
AI65883
ChemicalName:
Ethyl 5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CasNumber:
99367-44-9
MolecularFormula:
C12H12N2O4
MolecularWeight:
248.2347
MdlNumber:
MFCD20441302
Smiles:
CCOC(=O)c1nnc(o1)c1ccc(cc1)OC
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
RotatableBondCount:
5
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cnc(c(c1)C(F)(F)F)O
Complexity: 350
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
[O-][N+](=O)c1cnc(c(c1)C(F)(F)F)O
Complexity:
350
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.6
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MolecularFormula: __
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Smiles: CCS[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1N1C(=O)c2c(C1=O)cccc2)OC(=O)C)OC(=O)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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MolecularFormula:
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Smiles:
CCS[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1N1C(=O)c2c(C1=O)cccc2)OC(=O)C)OC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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MdlNumber: __
Smiles: NNCc1cccs1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
NNCc1cccs1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__