N-[3-[(2-chloro-4-methylbenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide

C18H14ClN3O3 — CID 166761844

IUPACN-[3-[(2-chloro-4-methylbenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(NC(=O)c3cnco3)c2)c(Cl)c1
InChIInChI=1S/C18H14ClN3O3/c1-11-5-6-14(15(19)7-11)17(23)21-12-3-2-4-13(8-12)22-18(24)16-9-20-10-25-16/h2-10H,1H3,(H,21,23)(H,22,24)
InChIKeyPMZLWTGMWLLQFX-UHFFFAOYSA-N
MW355.78 g/mol
LogP4.14
Rot. Bonds4

About N-[3-[(2-chloro-4-methylbenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide

N-[3-[(2-chloro-4-methylbenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide (PubChem CID 166761844) has the molecular formula C18H14ClN3O3 and a molecular weight of 355.78 g/mol. Its IUPAC name is N-[3-[(2-chloro-4-methylbenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-chloro-4-methylbenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide
PubChem CID166761844
Molecular FormulaC18H14ClN3O3
Molecular Weight355.78 g/mol
Exact Mass355.07
IUPAC NameN-[3-[(2-chloro-4-methylbenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(NC(=O)c3cnco3)c2)c(Cl)c1
InChIInChI=1S/C18H14ClN3O3/c1-11-5-6-14(15(19)7-11)17(23)21-12-3-2-4-13(8-12)22-18(24)16-9-20-10-25-16/h2-10H,1H3,(H,21,23)(H,22,24)
InChIKeyPMZLWTGMWLLQFX-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[(2-chloro-4-methylbenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-fluorophenyl)-1,3-oxazole-5-carboxamide
CID 96596303
2-chloro-N-(3-methoxyphenyl)-4-methylbenzamide
CID 886020
2-chloro-4-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 100520518
N-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide
CID 55834573
2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
CID 885992
N-(3-acetamidophenyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81228962
2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 1048560
2-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylbenzamide
CID 106861638
2-chloro-4-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 7106139
2-chloro-4-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23771066
4-bromo-N-(3-bromophenyl)-2-chlorobenzamide
CID 43805502
2-chloro-N-(3,5-dimethoxyphenyl)-4-methylbenzamide
CID 885585

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chloro-4-methylbenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[3-[(2-chloro-4-methylbenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide (CID 166761844) is N-[3-[(2-chloro-4-methylbenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-[(2-chloro-4-methylbenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[3-[(2-chloro-4-methylbenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide is Cc1ccc(C(=O)Nc2cccc(NC(=O)c3cnco3)c2)c(Cl)c1.
What is the InChIKey of N-[3-[(2-chloro-4-methylbenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide?
The InChIKey is PMZLWTGMWLLQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3/c1-11-5-6-14(15(19)7-11)17(23)21-12-3-2-4-13(8-12)22-18(24)16-9-20-10-25-16/h2-10H,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[(2-chloro-4-methylbenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide?
N-[3-[(2-chloro-4-methylbenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide has a molecular weight of 355.78 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chloro-4-methylbenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 166761844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).