5-(3-chlorophenyl)-N-[3-(methylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide

C18H14ClN3O3 — CID 37340877

IUPAC5-(3-chlorophenyl)-N-[3-(methylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)c1
InChIInChI=1S/C18H14ClN3O3/c1-20-17(23)12-5-3-7-14(9-12)21-18(24)15-10-16(25-22-15)11-4-2-6-13(19)8-11/h2-10H,1H3,(H,20,23)(H,21,24)
InChIKeyWNUQDBYSDBLKLB-UHFFFAOYSA-N
MW355.78 g/mol
LogP3.61
Rot. Bonds4

About 5-(3-chlorophenyl)-N-[3-(methylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide

5-(3-chlorophenyl)-N-[3-(methylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 37340877) has the molecular formula C18H14ClN3O3 and a molecular weight of 355.78 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[3-(methylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[3-(methylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID37340877
Molecular FormulaC18H14ClN3O3
Molecular Weight355.78 g/mol
Exact Mass355.07
IUPAC Name5-(3-chlorophenyl)-N-[3-(methylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)c1
InChIInChI=1S/C18H14ClN3O3/c1-20-17(23)12-5-3-7-14(9-12)21-18(24)15-10-16(25-22-15)11-4-2-6-13(19)8-11/h2-10H,1H3,(H,20,23)(H,21,24)
InChIKeyWNUQDBYSDBLKLB-UHFFFAOYSA-N
XLogP3.61
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 55991496
5-(3-chlorophenyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 37341737
N-[1-(3-acetamidophenyl)ethyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 46417652
N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15997665
N-(3-chlorophenyl)-5-(4-fluoro-3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 75204524
5-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide
CID 55638985
5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 15988828
5-(3-chlorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 78862555
N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 17252987
N-(2-amino-2-methylpropyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119630177
5-(3-chlorophenyl)-N-[2-(methylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 120826944
5-(3-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 55638960

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[3-(methylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-[3-(methylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide (CID 37340877) is 5-(3-chlorophenyl)-N-[3-(methylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[3-(methylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-[3-(methylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide is CNC(=O)c1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)c1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[3-(methylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is WNUQDBYSDBLKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3/c1-20-17(23)12-5-3-7-14(9-12)21-18(24)15-10-16(25-22-15)11-4-2-6-13(19)8-11/h2-10H,1H3,(H,20,23)(H,21,24).
What are the key properties of 5-(3-chlorophenyl)-N-[3-(methylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide?
5-(3-chlorophenyl)-N-[3-(methylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 355.78 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[3-(methylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 37340877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).