N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide

C22H21N3O3 — CID 55786487

IUPACN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cc(C(=O)NC4CC4)ccc3C)on2)cc1
InChIInChI=1S/C22H21N3O3/c1-13-3-6-15(7-4-13)19-12-20(28-25-19)22(27)24-18-11-16(8-5-14(18)2)21(26)23-17-9-10-17/h3-8,11-12,17H,9-10H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyQJGKMGCUQNFXIA-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.10
Rot. Bonds5

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

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 55786487) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID55786487
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cc(C(=O)NC4CC4)ccc3C)on2)cc1
InChIInChI=1S/C22H21N3O3/c1-13-3-6-15(7-4-13)19-12-20(28-25-19)22(27)24-18-11-16(8-5-14(18)2)21(26)23-17-9-10-17/h3-8,11-12,17H,9-10H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyQJGKMGCUQNFXIA-UHFFFAOYSA-N
XLogP4.10
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-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-(4-methylcyclohexyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427023
3-(4-methylphenyl)-N-piperidin-3-yl-1,2-oxazole-5-carboxamide
CID 119425159
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 51079604
N-cyclopropyl-4-methyl-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 55963383
4-methyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 28778001
3-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,2-oxazole-5-carboxamide
CID 46480197
N-[5-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119474347
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide
CID 58786259
5-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 55783366
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3,4,5-trifluorobenzamide
CID 66631543
2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide
CID 47047663

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide (CID 55786487) is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cc(C(=O)NC4CC4)ccc3C)on2)cc1.
What is the InChIKey of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is QJGKMGCUQNFXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-13-3-6-15(7-4-13)19-12-20(28-25-19)22(27)24-18-11-16(8-5-14(18)2)21(26)23-17-9-10-17/h3-8,11-12,17H,9-10H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 55786487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).