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

C18H24N2O2 — CID 17218074

IUPACN-[1-(4-tert-butylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H24N2O2/c1-11(14-7-9-15(10-8-14)18(4,5)6)19-17(21)16-12(2)20-22-13(16)3/h7-11H,1-6H3,(H,19,21)
InChIKeyXCERGILSCSPGQQ-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.08
Rot. Bonds3

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

N-[1-(4-tert-butylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 17218074) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID17218074
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H24N2O2/c1-11(14-7-9-15(10-8-14)18(4,5)6)19-17(21)16-12(2)20-22-13(16)3/h7-11H,1-6H3,(H,19,21)
InChIKeyXCERGILSCSPGQQ-UHFFFAOYSA-N
XLogP4.08
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2970413
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
3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-4-carboxamide
CID 75462133
3,5-dimethyl-N-[1-(2-methylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 18082542
N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 75461339
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 42563511
N-[1-(4-tert-butylphenyl)ethyl]-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19442275
(2S)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetic acid
CID 28778678
N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 33354725

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 17218074) is N-[1-(4-tert-butylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NC(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is XCERGILSCSPGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-11(14-7-9-15(10-8-14)18(4,5)6)19-17(21)16-12(2)20-22-13(16)3/h7-11H,1-6H3,(H,19,21).
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[1-(4-tert-butylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17218074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).