N-[5-[(3,5-dimethylbenzoyl)amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide

C21H21N3O3 — CID 122189928

IUPACN-[5-[(3,5-dimethylbenzoyl)amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(C)c(NC(=O)c3cnoc3C)c2)c1
InChIInChI=1S/C21H21N3O3/c1-12-7-13(2)9-16(8-12)20(25)23-17-6-5-14(3)19(10-17)24-21(26)18-11-22-27-15(18)4/h5-11H,1-4H3,(H,23,25)(H,24,26)
InChIKeyOOKRSTBFXUBXJJ-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.41
Rot. Bonds4

About N-[5-[(3,5-dimethylbenzoyl)amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[5-[(3,5-dimethylbenzoyl)amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 122189928) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[5-[(3,5-dimethylbenzoyl)amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(3,5-dimethylbenzoyl)amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID122189928
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[5-[(3,5-dimethylbenzoyl)amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(C)c(NC(=O)c3cnoc3C)c2)c1
InChIInChI=1S/C21H21N3O3/c1-12-7-13(2)9-16(8-12)20(25)23-17-6-5-14(3)19(10-17)24-21(26)18-11-22-27-15(18)4/h5-11H,1-4H3,(H,23,25)(H,24,26)
InChIKeyOOKRSTBFXUBXJJ-UHFFFAOYSA-N
XLogP4.41
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-[(3,5-dimethylbenzoyl)amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide 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 N-[5-[(3,5-dimethylbenzoyl)amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[5-[(3,5-dimethylbenzoyl)amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 122189928) is N-[5-[(3,5-dimethylbenzoyl)amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-[(3,5-dimethylbenzoyl)amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[5-[(3,5-dimethylbenzoyl)amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1cc(C)cc(C(=O)Nc2ccc(C)c(NC(=O)c3cnoc3C)c2)c1.
What is the InChIKey of N-[5-[(3,5-dimethylbenzoyl)amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is OOKRSTBFXUBXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-12-7-13(2)9-16(8-12)20(25)23-17-6-5-14(3)19(10-17)24-21(26)18-11-22-27-15(18)4/h5-11H,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-[5-[(3,5-dimethylbenzoyl)amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[5-[(3,5-dimethylbenzoyl)amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,5-dimethylbenzoyl)amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122189928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).