[5-(2-methylpent-4-yn-2-yl)-1,3-oxazol-4-yl]methanol

C10H13NO2 — CID 130130334

IUPAC[5-(2-methylpent-4-yn-2-yl)-1,3-oxazol-4-yl]methanol
SMILESC#CCC(C)(C)c1ocnc1CO
InChIInChI=1S/C10H13NO2/c1-4-5-10(2,3)9-8(6-12)11-7-13-9/h1,7,12H,5-6H2,2-3H3
InChIKeyOZQFVWKYNKDLRF-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.47
Rot. Bonds3

About [5-(2-methylpent-4-yn-2-yl)-1,3-oxazol-4-yl]methanol

[5-(2-methylpent-4-yn-2-yl)-1,3-oxazol-4-yl]methanol (PubChem CID 130130334) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is [5-(2-methylpent-4-yn-2-yl)-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(2-methylpent-4-yn-2-yl)-1,3-oxazol-4-yl]methanol
PubChem CID130130334
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name[5-(2-methylpent-4-yn-2-yl)-1,3-oxazol-4-yl]methanol
SMILESC#CCC(C)(C)c1ocnc1CO
InChIInChI=1S/C10H13NO2/c1-4-5-10(2,3)9-8(6-12)11-7-13-9/h1,7,12H,5-6H2,2-3H3
InChIKeyOZQFVWKYNKDLRF-UHFFFAOYSA-N
XLogP1.47
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [5-(2-methylpent-4-yn-2-yl)-1,3-oxazol-4-yl]methanol 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 [5-(2-methylpent-4-yn-2-yl)-1,3-oxazol-4-yl]methanol?
The IUPAC name of [5-(2-methylpent-4-yn-2-yl)-1,3-oxazol-4-yl]methanol (CID 130130334) is [5-(2-methylpent-4-yn-2-yl)-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(2-methylpent-4-yn-2-yl)-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [5-(2-methylpent-4-yn-2-yl)-1,3-oxazol-4-yl]methanol is C#CCC(C)(C)c1ocnc1CO.
What is the InChIKey of [5-(2-methylpent-4-yn-2-yl)-1,3-oxazol-4-yl]methanol?
The InChIKey is OZQFVWKYNKDLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-4-5-10(2,3)9-8(6-12)11-7-13-9/h1,7,12H,5-6H2,2-3H3.
What are the key properties of [5-(2-methylpent-4-yn-2-yl)-1,3-oxazol-4-yl]methanol?
[5-(2-methylpent-4-yn-2-yl)-1,3-oxazol-4-yl]methanol has a molecular weight of 179.22 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylpent-4-yn-2-yl)-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 130130334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).