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

C21H20N2O2 — CID 55668381

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCc1ccc(C(NC(=O)c2cc(-c3ccccc3)no2)C2CC2)cc1
InChIInChI=1S/C21H20N2O2/c1-14-7-9-16(10-8-14)20(17-11-12-17)22-21(24)19-13-18(23-25-19)15-5-3-2-4-6-15/h2-10,13,17,20H,11-12H2,1H3,(H,22,24)
InChIKeyAAYLPMDGMQINJI-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.53
Rot. Bonds5

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

N-[cyclopropyl-(4-methylphenyl)methyl]-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 55668381) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID55668381
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCc1ccc(C(NC(=O)c2cc(-c3ccccc3)no2)C2CC2)cc1
InChIInChI=1S/C21H20N2O2/c1-14-7-9-16(10-8-14)20(17-11-12-17)22-21(24)19-13-18(23-25-19)15-5-3-2-4-6-15/h2-10,13,17,20H,11-12H2,1H3,(H,22,24)
InChIKeyAAYLPMDGMQINJI-UHFFFAOYSA-N
XLogP4.53
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547720
(2S)-3-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 61137160
N-(4-methylcyclohexyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427023
2-methyl-3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid
CID 119237689
3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid
CID 119212192
3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 103856479
4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119188577
N-(1-hydroxybutan-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 43428096
6-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 119179983
N-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55759168
N-[cyclopropyl(phenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide
CID 134567374
N-(3-tert-butylcyclobutyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 121439934

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-3-phenyl-1,2-oxazole-5-carboxamide (CID 55668381) is N-[cyclopropyl-(4-methylphenyl)methyl]-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]-3-phenyl-1,2-oxazole-5-carboxamide is Cc1ccc(C(NC(=O)c2cc(-c3ccccc3)no2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is AAYLPMDGMQINJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-14-7-9-16(10-8-14)20(17-11-12-17)22-21(24)19-13-18(23-25-19)15-5-3-2-4-6-15/h2-10,13,17,20H,11-12H2,1H3,(H,22,24).
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]-3-phenyl-1,2-oxazole-5-carboxamide?
N-[cyclopropyl-(4-methylphenyl)methyl]-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylphenyl)methyl]-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 55668381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).