1-(2-methyl-1,3-oxazol-4-yl)pent-4-yn-1-ol

C9H11NO2 — CID 130517640

IUPAC1-(2-methyl-1,3-oxazol-4-yl)pent-4-yn-1-ol
SMILESC#CCCC(O)c1coc(C)n1
InChIInChI=1S/C9H11NO2/c1-3-4-5-9(11)8-6-12-7(2)10-8/h1,6,9,11H,4-5H2,2H3
InChIKeyRHBQZHSRUUYOFB-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.43
Rot. Bonds3

About 1-(2-methyl-1,3-oxazol-4-yl)pent-4-yn-1-ol

1-(2-methyl-1,3-oxazol-4-yl)pent-4-yn-1-ol (PubChem CID 130517640) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1-(2-methyl-1,3-oxazol-4-yl)pent-4-yn-1-ol.

Molecular Properties

Compound Name1-(2-methyl-1,3-oxazol-4-yl)pent-4-yn-1-ol
PubChem CID130517640
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1-(2-methyl-1,3-oxazol-4-yl)pent-4-yn-1-ol
SMILESC#CCCC(O)c1coc(C)n1
InChIInChI=1S/C9H11NO2/c1-3-4-5-9(11)8-6-12-7(2)10-8/h1,6,9,11H,4-5H2,2H3
InChIKeyRHBQZHSRUUYOFB-UHFFFAOYSA-N
XLogP1.43
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol
CID 122677791
(4-methylfuran-3-yl)-(2-methyl-1,3-oxazol-4-yl)methanol
CID 130825734
(1S)-1-phenylpent-4-yn-1-ol
CID 174532036
(2-methyl-1,3-oxazol-4-yl)-(1,2-thiazol-3-yl)methanol
CID 130927982
1-(4-tert-butylthiadiazol-5-yl)pent-4-yn-1-ol
CID 105098628
1-(5-fluoro-2-methylphenyl)pent-4-yn-1-ol
CID 63657486
1-(3-bromo-2-methylphenyl)pent-4-yn-1-ol
CID 115799431
1-(5-bromo-4-methylthiophen-2-yl)pent-4-yn-1-ol
CID 115799398
1-(5-methylpyrazin-2-yl)pent-4-ynylhydrazine
CID 105307917
2-methoxy-2-methylhept-6-yn-3-ol
CID 79197065
1-(4-tert-butyl-2,6-dimethylphenyl)hex-5-yn-2-ol
CID 63657471
1-(furan-2-yl)hept-6-yn-3-ol
CID 105098567

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-oxazol-4-yl)pent-4-yn-1-ol?
The IUPAC name of 1-(2-methyl-1,3-oxazol-4-yl)pent-4-yn-1-ol (CID 130517640) is 1-(2-methyl-1,3-oxazol-4-yl)pent-4-yn-1-ol.
What is the SMILES notation for 1-(2-methyl-1,3-oxazol-4-yl)pent-4-yn-1-ol?
The canonical SMILES for 1-(2-methyl-1,3-oxazol-4-yl)pent-4-yn-1-ol is C#CCCC(O)c1coc(C)n1.
What is the InChIKey of 1-(2-methyl-1,3-oxazol-4-yl)pent-4-yn-1-ol?
The InChIKey is RHBQZHSRUUYOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-3-4-5-9(11)8-6-12-7(2)10-8/h1,6,9,11H,4-5H2,2H3.
What are the key properties of 1-(2-methyl-1,3-oxazol-4-yl)pent-4-yn-1-ol?
1-(2-methyl-1,3-oxazol-4-yl)pent-4-yn-1-ol has a molecular weight of 165.19 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-oxazol-4-yl)pent-4-yn-1-ol is sourced from PubChem (CID 130517640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).