2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide

C14H12N2O3 — CID 106422353

IUPAC2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESO=C(NCc1ccno1)c1ccccc1C#CCO
InChIInChI=1S/C14H12N2O3/c17-9-3-5-11-4-1-2-6-13(11)14(18)15-10-12-7-8-16-19-12/h1-2,4,6-8,17H,9-10H2,(H,15,18)
InChIKeyRVPYWMRCPNOYKS-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.95
Rot. Bonds3

About 2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide

2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide (PubChem CID 106422353) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide
PubChem CID106422353
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESO=C(NCc1ccno1)c1ccccc1C#CCO
InChIInChI=1S/C14H12N2O3/c17-9-3-5-11-4-1-2-6-13(11)14(18)15-10-12-7-8-16-19-12/h1-2,4,6-8,17H,9-10H2,(H,15,18)
InChIKeyRVPYWMRCPNOYKS-UHFFFAOYSA-N
XLogP0.95
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide 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

4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106422360
N-(1,2-oxazol-5-ylmethyl)-2-sulfanylbenzamide
CID 106423406
2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106420098
2-[[2-(3-hydroxyprop-1-ynyl)benzoyl]amino]acetic acid
CID 169485909
2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
CID 104600464
2-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600341
2-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 60903757
3-chloro-2-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600434
N-[2-(carbamoylamino)ethyl]-2-(3-hydroxyprop-1-ynyl)benzamide
CID 83115719
2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185706
2-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]benzamide
CID 60903217
N-(1,2-oxazol-5-ylmethyl)-2-propan-2-yloxybenzamide
CID 122135765

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide?
The IUPAC name of 2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide (CID 106422353) is 2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide.
What is the SMILES notation for 2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide?
The canonical SMILES for 2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide is O=C(NCc1ccno1)c1ccccc1C#CCO.
What is the InChIKey of 2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide?
The InChIKey is RVPYWMRCPNOYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-9-3-5-11-4-1-2-6-13(11)14(18)15-10-12-7-8-16-19-12/h1-2,4,6-8,17H,9-10H2,(H,15,18).
What are the key properties of 2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide?
2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide has a molecular weight of 256.26 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide is sourced from PubChem (CID 106422353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).