5-methyl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide

C14H16N2O2 — CID 2225266

IUPAC5-methyl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCc2ccccc2)no1
InChIInChI=1S/C14H16N2O2/c1-11-10-13(16-18-11)14(17)15-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,15,17)
InChIKeyMAMHEMUEWSBEQL-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.35
Rot. Bonds5

About 5-methyl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide

5-methyl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 2225266) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-methyl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID2225266
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-methyl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCc2ccccc2)no1
InChIInChI=1S/C14H16N2O2/c1-11-10-13(16-18-11)14(17)15-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,15,17)
InChIKeyMAMHEMUEWSBEQL-UHFFFAOYSA-N
XLogP2.35
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-methyl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide (CID 2225266) is 5-methyl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCCc2ccccc2)no1.
What is the InChIKey of 5-methyl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is MAMHEMUEWSBEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-11-10-13(16-18-11)14(17)15-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,15,17).
What are the key properties of 5-methyl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2225266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).