2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-phenylbutyl)acetamide

C17H22N2O2 — CID 43027703

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-phenylbutyl)acetamide
SMILESCCCC(NC(=O)Cc1c(C)noc1C)c1ccccc1
InChIInChI=1S/C17H22N2O2/c1-4-8-16(14-9-6-5-7-10-14)18-17(20)11-15-12(2)19-21-13(15)3/h5-7,9-10,16H,4,8,11H2,1-3H3,(H,18,20)
InChIKeyXBICFGXCRBFQDP-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.49
Rot. Bonds6

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-phenylbutyl)acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-phenylbutyl)acetamide (PubChem CID 43027703) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-phenylbutyl)acetamide
PubChem CID43027703
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-phenylbutyl)acetamide
SMILESCCCC(NC(=O)Cc1c(C)noc1C)c1ccccc1
InChIInChI=1S/C17H22N2O2/c1-4-8-16(14-9-6-5-7-10-14)18-17(20)11-15-12(2)19-21-13(15)3/h5-7,9-10,16H,4,8,11H2,1-3H3,(H,18,20)
InChIKeyXBICFGXCRBFQDP-UHFFFAOYSA-N
XLogP3.49
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-phenylbutyl)benzamide
CID 46533721
N-[(R)-cyclopropyl(phenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 93235402
N-(3-amino-3-phenylpropyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 80505661
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43027694
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 41088769
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111471637
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-phenylpropanoic acid
CID 119254605
N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 40812290
3-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenylpropanamide
CID 75462228
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737801
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 40633985

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-phenylbutyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-phenylbutyl)acetamide (CID 43027703) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-phenylbutyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-phenylbutyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-phenylbutyl)acetamide is CCCC(NC(=O)Cc1c(C)noc1C)c1ccccc1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-phenylbutyl)acetamide?
The InChIKey is XBICFGXCRBFQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-8-16(14-9-6-5-7-10-14)18-17(20)11-15-12(2)19-21-13(15)3/h5-7,9-10,16H,4,8,11H2,1-3H3,(H,18,20).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-phenylbutyl)acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-phenylbutyl)acetamide has a molecular weight of 286.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-phenylbutyl)acetamide is sourced from PubChem (CID 43027703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).