5-(3-methylphenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide

C16H20N2O2 — CID 46087302

IUPAC5-(3-methylphenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide
SMILESCCCC(C)NC(=O)c1cc(-c2cccc(C)c2)on1
InChIInChI=1S/C16H20N2O2/c1-4-6-12(3)17-16(19)14-10-15(20-18-14)13-8-5-7-11(2)9-13/h5,7-10,12H,4,6H2,1-3H3,(H,17,19)
InChIKeyFBPFANIGKRMCKX-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.57
Rot. Bonds5

About 5-(3-methylphenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide

5-(3-methylphenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 46087302) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-(3-methylphenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-methylphenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID46087302
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-(3-methylphenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide
SMILESCCCC(C)NC(=O)c1cc(-c2cccc(C)c2)on1
InChIInChI=1S/C16H20N2O2/c1-4-6-12(3)17-16(19)14-10-15(20-18-14)13-8-5-7-11(2)9-13/h5,7-10,12H,4,6H2,1-3H3,(H,17,19)
InChIKeyFBPFANIGKRMCKX-UHFFFAOYSA-N
XLogP3.57
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-pentan-2-yl-5-phenyl-1,2-oxazole-3-carboxamide
CID 133149969
5-(4-fluorophenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide
CID 133149974
N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 93140630
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 46087211
5-(3-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide
CID 41098517
N-[(2S)-butan-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 41098446
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 70708653
5-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]-1,2-oxazole-3-carboxamide
CID 41098515
N-(3-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17011506
(2S)-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
CID 107564210
5-naphthalen-2-yl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 46087304
N-(5-chloro-2-methoxyphenyl)-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 159062003

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-methylphenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide (CID 46087302) is 5-(3-methylphenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-methylphenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-methylphenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide is CCCC(C)NC(=O)c1cc(-c2cccc(C)c2)on1.
What is the InChIKey of 5-(3-methylphenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is FBPFANIGKRMCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-6-12(3)17-16(19)14-10-15(20-18-14)13-8-5-7-11(2)9-13/h5,7-10,12H,4,6H2,1-3H3,(H,17,19).
What are the key properties of 5-(3-methylphenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide?
5-(3-methylphenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46087302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).