2-[5-[(3-chlorobenzoyl)amino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]benzamide

C28H22ClN5O3 — CID 174473837

IUPAC2-[5-[(3-chlorobenzoyl)amino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]benzamide
SMILESCc1nn(-c2ccccc2)c(C)c1-c1noc(NC(=O)c2cccc(Cl)c2)c1-c1ccccc1C(N)=O
InChIInChI=1S/C28H22ClN5O3/c1-16-23(17(2)34(32-16)20-11-4-3-5-12-20)25-24(21-13-6-7-14-22(21)26(30)35)28(37-33-25)31-27(36)18-9-8-10-19(29)15-18/h3-15H,1-2H3,(H2,30,35)(H,31,36)
InChIKeyRNBLMZHBBLKGOF-UHFFFAOYSA-N
MW511.97 g/mol
LogP5.82
Rot. Bonds6

About 2-[5-[(3-chlorobenzoyl)amino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]benzamide

2-[5-[(3-chlorobenzoyl)amino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]benzamide (PubChem CID 174473837) has the molecular formula C28H22ClN5O3 and a molecular weight of 511.97 g/mol. Its IUPAC name is 2-[5-[(3-chlorobenzoyl)amino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]benzamide.

Molecular Properties

Compound Name2-[5-[(3-chlorobenzoyl)amino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]benzamide
PubChem CID174473837
Molecular FormulaC28H22ClN5O3
Molecular Weight511.97 g/mol
Exact Mass511.14
IUPAC Name2-[5-[(3-chlorobenzoyl)amino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]benzamide
SMILESCc1nn(-c2ccccc2)c(C)c1-c1noc(NC(=O)c2cccc(Cl)c2)c1-c1ccccc1C(N)=O
InChIInChI=1S/C28H22ClN5O3/c1-16-23(17(2)34(32-16)20-11-4-3-5-12-20)25-24(21-13-6-7-14-22(21)26(30)35)28(37-33-25)31-27(36)18-9-8-10-19(29)15-18/h3-15H,1-2H3,(H2,30,35)(H,31,36)
InChIKeyRNBLMZHBBLKGOF-UHFFFAOYSA-N
XLogP5.82
TPSA116.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.97
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-[(3-chlorobenzoyl)amino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-chlorobenzoyl)amino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]benzamide?
The IUPAC name of 2-[5-[(3-chlorobenzoyl)amino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]benzamide (CID 174473837) is 2-[5-[(3-chlorobenzoyl)amino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]benzamide.
What is the SMILES notation for 2-[5-[(3-chlorobenzoyl)amino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]benzamide?
The canonical SMILES for 2-[5-[(3-chlorobenzoyl)amino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]benzamide is Cc1nn(-c2ccccc2)c(C)c1-c1noc(NC(=O)c2cccc(Cl)c2)c1-c1ccccc1C(N)=O.
What is the InChIKey of 2-[5-[(3-chlorobenzoyl)amino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]benzamide?
The InChIKey is RNBLMZHBBLKGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClN5O3/c1-16-23(17(2)34(32-16)20-11-4-3-5-12-20)25-24(21-13-6-7-14-22(21)26(30)35)28(37-33-25)31-27(36)18-9-8-10-19(29)15-18/h3-15H,1-2H3,(H2,30,35)(H,31,36).
What are the key properties of 2-[5-[(3-chlorobenzoyl)amino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]benzamide?
2-[5-[(3-chlorobenzoyl)amino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]benzamide has a molecular weight of 511.97 g/mol, XLogP of 5.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-chlorobenzoyl)amino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]benzamide is sourced from PubChem (CID 174473837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).