2-(1,2-oxazol-3-yl)-N-prop-2-ynylacetamide

C8H8N2O2 — CID 131134519

IUPAC2-(1,2-oxazol-3-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)Cc1ccon1
InChIInChI=1S/C8H8N2O2/c1-2-4-9-8(11)6-7-3-5-12-10-7/h1,3,5H,4,6H2,(H,9,11)
InChIKeyPJIIRVBMWZCWSE-UHFFFAOYSA-N
MW164.16 g/mol
LogP-0.03
Rot. Bonds3

About 2-(1,2-oxazol-3-yl)-N-prop-2-ynylacetamide

2-(1,2-oxazol-3-yl)-N-prop-2-ynylacetamide (PubChem CID 131134519) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2-(1,2-oxazol-3-yl)-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-(1,2-oxazol-3-yl)-N-prop-2-ynylacetamide
PubChem CID131134519
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name2-(1,2-oxazol-3-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)Cc1ccon1
InChIInChI=1S/C8H8N2O2/c1-2-4-9-8(11)6-7-3-5-12-10-7/h1,3,5H,4,6H2,(H,9,11)
InChIKeyPJIIRVBMWZCWSE-UHFFFAOYSA-N
XLogP-0.03
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1,2-oxazol-3-yl)-N-prop-2-ynylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110850493
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(1,2-oxazol-3-yl)acetamide
CID 109380934
N-carbamothioyl-2-(1,2-oxazol-3-yl)acetamide
CID 54041905
2-(2-methylpyrazol-3-yl)-N-prop-2-ynylacetamide
CID 130683204
N-(4-bromophenyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110859681
2-(1,2-oxazol-3-yl)-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]acetamide
CID 129003376
2-benzyl-3-[[2-(1,2-oxazol-3-yl)acetyl]amino]propanoic acid
CID 119233717
(2S)-4-methyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid
CID 119360778
2-(methylamino)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81171210
N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(1,2-oxazol-3-yl)acetamide
CID 97227840
2-(2-amino-1,3-thiazol-4-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81170888
N-(2-fluorophenyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110858552

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-3-yl)-N-prop-2-ynylacetamide?
The IUPAC name of 2-(1,2-oxazol-3-yl)-N-prop-2-ynylacetamide (CID 131134519) is 2-(1,2-oxazol-3-yl)-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-(1,2-oxazol-3-yl)-N-prop-2-ynylacetamide?
The canonical SMILES for 2-(1,2-oxazol-3-yl)-N-prop-2-ynylacetamide is C#CCNC(=O)Cc1ccon1.
What is the InChIKey of 2-(1,2-oxazol-3-yl)-N-prop-2-ynylacetamide?
The InChIKey is PJIIRVBMWZCWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-2-4-9-8(11)6-7-3-5-12-10-7/h1,3,5H,4,6H2,(H,9,11).
What are the key properties of 2-(1,2-oxazol-3-yl)-N-prop-2-ynylacetamide?
2-(1,2-oxazol-3-yl)-N-prop-2-ynylacetamide has a molecular weight of 164.16 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-3-yl)-N-prop-2-ynylacetamide is sourced from PubChem (CID 131134519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).