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

C13H14N2O2 — CID 72942956

IUPAC2-methyl-N-(2-phenyl-1,3-oxazol-4-yl)propanamide
SMILESCC(C)C(=O)Nc1coc(-c2ccccc2)n1
InChIInChI=1S/C13H14N2O2/c1-9(2)12(16)14-11-8-17-13(15-11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,14,16)
InChIKeyXMLIIFNVAOABKF-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.94
Rot. Bonds3

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

2-methyl-N-(2-phenyl-1,3-oxazol-4-yl)propanamide (PubChem CID 72942956) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-methyl-N-(2-phenyl-1,3-oxazol-4-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-phenyl-1,3-oxazol-4-yl)propanamide
PubChem CID72942956
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-methyl-N-(2-phenyl-1,3-oxazol-4-yl)propanamide
SMILESCC(C)C(=O)Nc1coc(-c2ccccc2)n1
InChIInChI=1S/C13H14N2O2/c1-9(2)12(16)14-11-8-17-13(15-11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,14,16)
InChIKeyXMLIIFNVAOABKF-UHFFFAOYSA-N
XLogP2.94
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-phenyl-1,3-oxazol-4-yl)propanamide?
The IUPAC name of 2-methyl-N-(2-phenyl-1,3-oxazol-4-yl)propanamide (CID 72942956) is 2-methyl-N-(2-phenyl-1,3-oxazol-4-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(2-phenyl-1,3-oxazol-4-yl)propanamide?
The canonical SMILES for 2-methyl-N-(2-phenyl-1,3-oxazol-4-yl)propanamide is CC(C)C(=O)Nc1coc(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-N-(2-phenyl-1,3-oxazol-4-yl)propanamide?
The InChIKey is XMLIIFNVAOABKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9(2)12(16)14-11-8-17-13(15-11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,14,16).
What are the key properties of 2-methyl-N-(2-phenyl-1,3-oxazol-4-yl)propanamide?
2-methyl-N-(2-phenyl-1,3-oxazol-4-yl)propanamide has a molecular weight of 230.27 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-phenyl-1,3-oxazol-4-yl)propanamide is sourced from PubChem (CID 72942956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).