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

C18H24N2O2 — CID 17249884

IUPACN-[1-(4-butan-2-ylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCC(C)c1ccc(C(C)NC(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C18H24N2O2/c1-6-11(2)15-7-9-16(10-8-15)12(3)19-18(21)17-13(4)20-22-14(17)5/h7-12H,6H2,1-5H3,(H,19,21)
InChIKeyZRMXKMAFUOCRBL-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.30
Rot. Bonds5

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

N-[1-(4-butan-2-ylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 17249884) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[1-(4-butan-2-ylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-butan-2-ylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID17249884
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[1-(4-butan-2-ylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCC(C)c1ccc(C(C)NC(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C18H24N2O2/c1-6-11(2)15-7-9-16(10-8-15)12(3)19-18(21)17-13(4)20-22-14(17)5/h7-12H,6H2,1-5H3,(H,19,21)
InChIKeyZRMXKMAFUOCRBL-UHFFFAOYSA-N
XLogP4.30
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.30
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
3,5-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 46440611
N-[1-(3,4-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2970413
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
3-ethyl-5-methyl-N-[(1S)-1-pyridin-4-ylethyl]-1,2-oxazole-4-carboxamide
CID 27233350
N-[2-[(2R)-butan-2-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 7718787
ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]propanoate
CID 54960600
N-(1-hydroxypentan-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 115767467
N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 103944578
3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-4-carboxamide
CID 75462133

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butan-2-ylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-(4-butan-2-ylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 17249884) is N-[1-(4-butan-2-ylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-butan-2-ylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(4-butan-2-ylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is CCC(C)c1ccc(C(C)NC(=O)c2c(C)noc2C)cc1.
What is the InChIKey of N-[1-(4-butan-2-ylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is ZRMXKMAFUOCRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-6-11(2)15-7-9-16(10-8-15)12(3)19-18(21)17-13(4)20-22-14(17)5/h7-12H,6H2,1-5H3,(H,19,21).
What are the key properties of N-[1-(4-butan-2-ylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[1-(4-butan-2-ylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butan-2-ylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17249884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).