3-benzyl-N-methoxy-N,4-dimethyl-1,2-oxazole-5-carboxamide

C14H16N2O3 — CID 139467450

IUPAC3-benzyl-N-methoxy-N,4-dimethyl-1,2-oxazole-5-carboxamide
SMILESCON(C)C(=O)c1onc(Cc2ccccc2)c1C
InChIInChI=1S/C14H16N2O3/c1-10-12(9-11-7-5-4-6-8-11)15-19-13(10)14(17)16(2)18-3/h4-8H,9H2,1-3H3
InChIKeyQIPAPZLTUIHWBG-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.21
Rot. Bonds4

About 3-benzyl-N-methoxy-N,4-dimethyl-1,2-oxazole-5-carboxamide

3-benzyl-N-methoxy-N,4-dimethyl-1,2-oxazole-5-carboxamide (PubChem CID 139467450) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-benzyl-N-methoxy-N,4-dimethyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-methoxy-N,4-dimethyl-1,2-oxazole-5-carboxamide
PubChem CID139467450
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-benzyl-N-methoxy-N,4-dimethyl-1,2-oxazole-5-carboxamide
SMILESCON(C)C(=O)c1onc(Cc2ccccc2)c1C
InChIInChI=1S/C14H16N2O3/c1-10-12(9-11-7-5-4-6-8-11)15-19-13(10)14(17)16(2)18-3/h4-8H,9H2,1-3H3
InChIKeyQIPAPZLTUIHWBG-UHFFFAOYSA-N
XLogP2.21
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-benzyl-N-methoxy-N,4-dimethyl-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-benzyl-N-methoxy-N,4-dimethyl-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-benzyl-N-methoxy-N,4-dimethyl-1,2-oxazole-5-carboxamide (CID 139467450) is 3-benzyl-N-methoxy-N,4-dimethyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-benzyl-N-methoxy-N,4-dimethyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-benzyl-N-methoxy-N,4-dimethyl-1,2-oxazole-5-carboxamide is CON(C)C(=O)c1onc(Cc2ccccc2)c1C.
What is the InChIKey of 3-benzyl-N-methoxy-N,4-dimethyl-1,2-oxazole-5-carboxamide?
The InChIKey is QIPAPZLTUIHWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-12(9-11-7-5-4-6-8-11)15-19-13(10)14(17)16(2)18-3/h4-8H,9H2,1-3H3.
What are the key properties of 3-benzyl-N-methoxy-N,4-dimethyl-1,2-oxazole-5-carboxamide?
3-benzyl-N-methoxy-N,4-dimethyl-1,2-oxazole-5-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-methoxy-N,4-dimethyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 139467450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).