3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide

C16H20N2O2 — CID 17218078

IUPAC3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C16H20N2O2/c1-11(9-10-14-7-5-4-6-8-14)17-16(19)15-12(2)18-20-13(15)3/h4-8,11H,9-10H2,1-3H3,(H,17,19)
InChIKeyVFGIMRSFVDWAFM-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.04
Rot. Bonds5

About 3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 17218078) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
PubChem CID17218078
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C16H20N2O2/c1-11(9-10-14-7-5-4-6-8-14)17-16(19)15-12(2)18-20-13(15)3/h4-8,11H,9-10H2,1-3H3,(H,17,19)
InChIKeyVFGIMRSFVDWAFM-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 2915253
5-(furan-2-yl)-3-methyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 46093897
3-methyl-N-(4-phenylbutan-2-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 46093882
2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 100647997
5-(1,3-benzodioxol-5-yl)-3-methyl-N-[(2S)-4-phenylbutan-2-yl]-1,2-oxazole-4-carboxamide
CID 92767319
3-methyl-N-[(2S)-4-phenylbutan-2-yl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
CID 92768024
5-(1,3-benzodioxol-5-yl)-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-1,2-oxazole-4-carboxamide
CID 92767320
5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid
CID 82854561
benzyl (2S)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-4-methylpentanoate
CID 56805682
N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 103944578
N-[4-(furan-2-yl)butan-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 18162415
(2S)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetic acid
CID 28778678

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide (CID 17218078) is 3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NC(C)CCc1ccccc1.
What is the InChIKey of 3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is VFGIMRSFVDWAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(9-10-14-7-5-4-6-8-14)17-16(19)15-12(2)18-20-13(15)3/h4-8,11H,9-10H2,1-3H3,(H,17,19).
What are the key properties of 3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17218078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).