N-cyclopropyl-5-[2-[(4-methylphenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide

C21H19N3O3 — CID 53122887

IUPACN-cyclopropyl-5-[2-[(4-methylphenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccccc2-c2ocnc2C(=O)NC2CC2)cc1
InChIInChI=1S/C21H19N3O3/c1-13-6-8-14(9-7-13)23-20(25)17-5-3-2-4-16(17)19-18(22-12-27-19)21(26)24-15-10-11-15/h2-9,12,15H,10-11H2,1H3,(H,23,25)(H,24,26)
InChIKeyWBQVOZHQWDTVRQ-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.79
Rot. Bonds5

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

N-cyclopropyl-5-[2-[(4-methylphenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 53122887) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-cyclopropyl-5-[2-[(4-methylphenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[2-[(4-methylphenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
PubChem CID53122887
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-cyclopropyl-5-[2-[(4-methylphenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccccc2-c2ocnc2C(=O)NC2CC2)cc1
InChIInChI=1S/C21H19N3O3/c1-13-6-8-14(9-7-13)23-20(25)17-5-3-2-4-16(17)19-18(22-12-27-19)21(26)24-15-10-11-15/h2-9,12,15H,10-11H2,1H3,(H,23,25)(H,24,26)
InChIKeyWBQVOZHQWDTVRQ-UHFFFAOYSA-N
XLogP3.79
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-[2-(cyclohexylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate
CID 20973922
ethyl 5-[2-(cycloheptylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate
CID 20973901
5-(2-chlorophenyl)-N-(4-hydroxycyclohexyl)-1,3-oxazole-4-carboxamide
CID 111462853
N-cyclopentyl-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 53122915
N-[4-(cyclopropylcarbamoyl)phenyl]-2-phenylbenzamide
CID 51299795
N-cyclopropyl-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 73440583
N-(3,4-dimethoxyphenyl)-5-[2-[(3-fluorophenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 53122892
5-N-cycloheptyl-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353871
N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide
CID 18132726
N-(4-aminocyclohexyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride
CID 119476886
N-cyclopropyl-4-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]benzamide
CID 24624066
N-[4-(ethylamino)phenyl]-2-(4-methylphenyl)benzamide
CID 141052756

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[2-[(4-methylphenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-5-[2-[(4-methylphenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide (CID 53122887) is N-cyclopropyl-5-[2-[(4-methylphenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[2-[(4-methylphenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[2-[(4-methylphenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide is Cc1ccc(NC(=O)c2ccccc2-c2ocnc2C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-5-[2-[(4-methylphenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is WBQVOZHQWDTVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-13-6-8-14(9-7-13)23-20(25)17-5-3-2-4-16(17)19-18(22-12-27-19)21(26)24-15-10-11-15/h2-9,12,15H,10-11H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-cyclopropyl-5-[2-[(4-methylphenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide?
N-cyclopropyl-5-[2-[(4-methylphenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[2-[(4-methylphenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53122887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).