N-[1-(3,4-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C16H20N2O2 — CID 2970413

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2c(C)noc2C)cc1C
InChIInChI=1S/C16H20N2O2/c1-9-6-7-14(8-10(9)2)11(3)17-16(19)15-12(4)18-20-13(15)5/h6-8,11H,1-5H3,(H,17,19)
InChIKeyVFFXIEGSTBDXGR-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.40
Rot. Bonds3

About N-[1-(3,4-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[1-(3,4-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 2970413) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID2970413
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2c(C)noc2C)cc1C
InChIInChI=1S/C16H20N2O2/c1-9-6-7-14(8-10(9)2)11(3)17-16(19)15-12(4)18-20-13(15)5/h6-8,11H,1-5H3,(H,17,19)
InChIKeyVFFXIEGSTBDXGR-UHFFFAOYSA-N
XLogP3.40
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17218074
3,5-dimethyl-N-(1-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 3632907
N-[1-(4-butan-2-ylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17249884
3,5-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 46440611
N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 75461339
3,5-dimethyl-N-[1-(2-methylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 18082542
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 40635729
N-[1-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 133230643
3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-4-carboxamide
CID 75462133
(2S)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetic acid
CID 28778678
5-[[(1R)-1-(3,4-dimethylphenyl)ethyl]carbamoyl]furan-2-carboxylic acid
CID 129466583
3-ethyl-5-methyl-N-(1-naphthalen-2-ylethyl)-1,2-oxazole-4-carboxamide
CID 18192523

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 2970413) is N-[1-(3,4-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1ccc(C(C)NC(=O)c2c(C)noc2C)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is VFFXIEGSTBDXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-9-6-7-14(8-10(9)2)11(3)17-16(19)15-12(4)18-20-13(15)5/h6-8,11H,1-5H3,(H,17,19).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[1-(3,4-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2970413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).