N-(1,2-oxazol-3-yl)-2-phenylbutanamide

C13H14N2O2 — CID 2971247

IUPACN-(1,2-oxazol-3-yl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccon1)c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-2-11(10-6-4-3-5-7-10)13(16)14-12-8-9-17-15-12/h3-9,11H,2H2,1H3,(H,14,15,16)
InChIKeySZRQFFYFLMVKTJ-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.81
Rot. Bonds4

About N-(1,2-oxazol-3-yl)-2-phenylbutanamide

N-(1,2-oxazol-3-yl)-2-phenylbutanamide (PubChem CID 2971247) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(1,2-oxazol-3-yl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-yl)-2-phenylbutanamide
PubChem CID2971247
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-(1,2-oxazol-3-yl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccon1)c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-2-11(10-6-4-3-5-7-10)13(16)14-12-8-9-17-15-12/h3-9,11H,2H2,1H3,(H,14,15,16)
InChIKeySZRQFFYFLMVKTJ-UHFFFAOYSA-N
XLogP2.81
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Soretolide
CID 198730
4-tert-butyl-N-(5-methyl-3-isoxazolyl)benzamide
CID 670749
Benzamide, N-(5-methyl-3-isoxazolyl)-
CID 569560
2-(3-methylphenyl)-N-(1,2-oxazol-3-yl)acetamide
CID 6467231
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 840302
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)acetamide
CID 889538
2-(4-nitrophenyl)-N-(1,2-oxazol-3-yl)acetamide
CID 1246930
2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 3099031
2-(2-methylphenyl)-N-(1,2-oxazol-3-yl)acetamide
CID 6465012
1-(4-Ethylphenyl)-3-(1,2-oxazol-3-yl)urea
CID 17276893
1-(2-Ethylphenyl)-3-(1,2-oxazol-3-yl)urea
CID 17276894
N-3-isoxazolyl-2-phenyl-2-(phenylthio)acetamide
CID 2970368

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-yl)-2-phenylbutanamide?
The IUPAC name of N-(1,2-oxazol-3-yl)-2-phenylbutanamide (CID 2971247) is N-(1,2-oxazol-3-yl)-2-phenylbutanamide.
What is the SMILES notation for N-(1,2-oxazol-3-yl)-2-phenylbutanamide?
The canonical SMILES for N-(1,2-oxazol-3-yl)-2-phenylbutanamide is CCC(C(=O)Nc1ccon1)c1ccccc1.
What is the InChIKey of N-(1,2-oxazol-3-yl)-2-phenylbutanamide?
The InChIKey is SZRQFFYFLMVKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-11(10-6-4-3-5-7-10)13(16)14-12-8-9-17-15-12/h3-9,11H,2H2,1H3,(H,14,15,16).
What are the key properties of N-(1,2-oxazol-3-yl)-2-phenylbutanamide?
N-(1,2-oxazol-3-yl)-2-phenylbutanamide has a molecular weight of 230.27 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-yl)-2-phenylbutanamide is sourced from PubChem (CID 2971247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).