5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide

C15H10ClN3O3 — CID 10663188

IUPAC5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
SMILESO=C(Nc1ccccc1)n1nc(-c2ccc(Cl)cc2)oc1=O
InChIInChI=1S/C15H10ClN3O3/c16-11-8-6-10(7-9-11)13-18-19(15(21)22-13)14(20)17-12-4-2-1-3-5-12/h1-9H,(H,17,20)
InChIKeyZQWOMGCZLZTTSK-UHFFFAOYSA-N
MW315.72 g/mol
LogP3.24
Rot. Bonds2

About 5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide

5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide (PubChem CID 10663188) has the molecular formula C15H10ClN3O3 and a molecular weight of 315.72 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
PubChem CID10663188
Molecular FormulaC15H10ClN3O3
Molecular Weight315.72 g/mol
Exact Mass315.04
IUPAC Name5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
SMILESO=C(Nc1ccccc1)n1nc(-c2ccc(Cl)cc2)oc1=O
InChIInChI=1S/C15H10ClN3O3/c16-11-8-6-10(7-9-11)13-18-19(15(21)22-13)14(20)17-12-4-2-1-3-5-12/h1-9H,(H,17,20)
InChIKeyZQWOMGCZLZTTSK-UHFFFAOYSA-N
XLogP3.24
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Chlorophenyl)-5-phenyl-1,3,4-oxadiazol-2-one
CID 44408461
3-[(2-Chloroanilino)methyl]-5-phenyl-1,3,4-oxadiazole-2-thione
CID 76317314
5-(4-Chlorophenyl)-3-[(2-methylanilino)methyl]-1,3,4-oxadiazole-2-thione
CID 76328248
3-[(2-Chloroanilino)methyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole-2-thione
CID 76335507
6-(2-Chlorophenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione
CID 21323805
5-(4-chlorophenyl)-2-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-3-carboxamide
CID 59956651
2-(4-Chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
CID 10760891
1-(4-Chlorophenyl)-3-[2-(2-oxo-5-phenyl-2,3-dihydro-1,3,4-oxadiazol-3-yl)ethyl]urea
CID 23609369
6-(4-Chlorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione
CID 21323801
6-(2-Chlorophenyl)-3-(4-chlorophenyl)-1,3,5-oxadiazine-2,4-dione
CID 21323810
3,6-Bis(4-chlorophenyl)-1,3,5-oxadiazine-2,4-dione
CID 21323812
2,2-dimethyl-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide
CID 59956654

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide (CID 10663188) is 5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide is O=C(Nc1ccccc1)n1nc(-c2ccc(Cl)cc2)oc1=O.
What is the InChIKey of 5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide?
The InChIKey is ZQWOMGCZLZTTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O3/c16-11-8-6-10(7-9-11)13-18-19(15(21)22-13)14(20)17-12-4-2-1-3-5-12/h1-9H,(H,17,20).
What are the key properties of 5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide?
5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide has a molecular weight of 315.72 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 10663188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).