3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)butanamide

C14H16N2O2 — CID 110402038

IUPAC3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)butanamide
SMILESCC(C)CC(=O)Nc1oncc1-c1ccccc1
InChIInChI=1S/C14H16N2O2/c1-10(2)8-13(17)16-14-12(9-15-18-14)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,16,17)
InChIKeyGBRLXHZLGXLFLG-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.33
Rot. Bonds4

About 3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)butanamide

3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)butanamide (PubChem CID 110402038) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)butanamide
PubChem CID110402038
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)butanamide
SMILESCC(C)CC(=O)Nc1oncc1-c1ccccc1
InChIInChI=1S/C14H16N2O2/c1-10(2)8-13(17)16-14-12(9-15-18-14)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,16,17)
InChIKeyGBRLXHZLGXLFLG-UHFFFAOYSA-N
XLogP3.33
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-N-(4-phenyl-1,2-oxazol-5-yl)acetamide
CID 118895396
2-(benzenesulfonyl)-N-(4-phenyl-1,2-oxazol-5-yl)acetamide
CID 46506897
N-(4-phenyl-1,2-oxazol-5-yl)-4-propan-2-ylbenzamide
CID 110402056
2,6-dimethoxy-N-(4-phenyl-1,2-oxazol-5-yl)benzamide
CID 110402062
3-methyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)butanamide
CID 7678267
4-methoxy-N-(4-phenyl-1,2-oxazol-5-yl)benzamide
CID 110402060
3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]propanamide
CID 110402251
2-chloro-N-[4-(4-fluorophenyl)-1,2-oxazol-5-yl]acetamide
CID 45030874
3-(2-methoxyphenyl)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide
CID 110402430
3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide
CID 110402400
methyl 2-(3-methylbutanoylamino)-4-phenylthiophene-3-carboxylate
CID 844860
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)butanamide?
The IUPAC name of 3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)butanamide (CID 110402038) is 3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)butanamide?
The canonical SMILES for 3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)butanamide is CC(C)CC(=O)Nc1oncc1-c1ccccc1.
What is the InChIKey of 3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)butanamide?
The InChIKey is GBRLXHZLGXLFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(2)8-13(17)16-14-12(9-15-18-14)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)butanamide?
3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)butanamide has a molecular weight of 244.29 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)butanamide is sourced from PubChem (CID 110402038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).