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

C14H16N2O3 — CID 71802446

IUPAC3-methoxy-N-(3-phenylpropyl)-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NCCCc2ccccc2)on1
InChIInChI=1S/C14H16N2O3/c1-18-13-10-12(19-16-13)14(17)15-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,15,17)
InChIKeyKCFWBABDCSSRBK-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.05
Rot. Bonds6

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

3-methoxy-N-(3-phenylpropyl)-1,2-oxazole-5-carboxamide (PubChem CID 71802446) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-methoxy-N-(3-phenylpropyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(3-phenylpropyl)-1,2-oxazole-5-carboxamide
PubChem CID71802446
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-methoxy-N-(3-phenylpropyl)-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NCCCc2ccccc2)on1
InChIInChI=1S/C14H16N2O3/c1-18-13-10-12(19-16-13)14(17)15-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,15,17)
InChIKeyKCFWBABDCSSRBK-UHFFFAOYSA-N
XLogP2.05
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methoxy-N-(3-phenylpropyl)-1,2-oxazole-5-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 3-methoxy-N-(3-phenylpropyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methoxy-N-(3-phenylpropyl)-1,2-oxazole-5-carboxamide (CID 71802446) is 3-methoxy-N-(3-phenylpropyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-N-(3-phenylpropyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methoxy-N-(3-phenylpropyl)-1,2-oxazole-5-carboxamide is COc1cc(C(=O)NCCCc2ccccc2)on1.
What is the InChIKey of 3-methoxy-N-(3-phenylpropyl)-1,2-oxazole-5-carboxamide?
The InChIKey is KCFWBABDCSSRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-13-10-12(19-16-13)14(17)15-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,15,17).
What are the key properties of 3-methoxy-N-(3-phenylpropyl)-1,2-oxazole-5-carboxamide?
3-methoxy-N-(3-phenylpropyl)-1,2-oxazole-5-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-phenylpropyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71802446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).