prop-2-ynyl N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate

C14H12N2O3 — CID 2731977

IUPACprop-2-ynyl N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate
SMILESC#CCOC(=O)Nc1c(-c2ccccc2)noc1C
InChIInChI=1S/C14H12N2O3/c1-3-9-18-14(17)15-12-10(2)19-16-13(12)11-7-5-4-6-8-11/h1,4-8H,9H2,2H3,(H,15,17)
InChIKeyHHIJTDPBBHWSLQ-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.83
Rot. Bonds3

About prop-2-ynyl N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate

prop-2-ynyl N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate (PubChem CID 2731977) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is prop-2-ynyl N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate.

Molecular Properties

Compound Nameprop-2-ynyl N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate
PubChem CID2731977
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Nameprop-2-ynyl N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate
SMILESC#CCOC(=O)Nc1c(-c2ccccc2)noc1C
InChIInChI=1S/C14H12N2O3/c1-3-9-18-14(17)15-12-10(2)19-16-13(12)11-7-5-4-6-8-11/h1,4-8H,9H2,2H3,(H,15,17)
InChIKeyHHIJTDPBBHWSLQ-UHFFFAOYSA-N
XLogP2.83
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze prop-2-ynyl N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate 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 prop-2-ynyl N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate?
The IUPAC name of prop-2-ynyl N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate (CID 2731977) is prop-2-ynyl N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate.
What is the SMILES notation for prop-2-ynyl N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate?
The canonical SMILES for prop-2-ynyl N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate is C#CCOC(=O)Nc1c(-c2ccccc2)noc1C.
What is the InChIKey of prop-2-ynyl N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate?
The InChIKey is HHIJTDPBBHWSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-3-9-18-14(17)15-12-10(2)19-16-13(12)11-7-5-4-6-8-11/h1,4-8H,9H2,2H3,(H,15,17).
What are the key properties of prop-2-ynyl N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate?
prop-2-ynyl N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate has a molecular weight of 256.26 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate is sourced from PubChem (CID 2731977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).