1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-yn-1-ol

C8H9NO2 — CID 86720328

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-yn-1-ol
SMILESC#CC(O)c1c(C)noc1C
InChIInChI=1S/C8H9NO2/c1-4-7(10)8-5(2)9-11-6(8)3/h1,7,10H,2-3H3
InChIKeyZJTHFEQEQHVFEF-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.96
Rot. Bonds1

About 1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-yn-1-ol

1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-yn-1-ol (PubChem CID 86720328) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-yn-1-ol
PubChem CID86720328
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-yn-1-ol
SMILESC#CC(O)c1c(C)noc1C
InChIInChI=1S/C8H9NO2/c1-4-7(10)8-5(2)9-11-6(8)3/h1,7,10H,2-3H3
InChIKeyZJTHFEQEQHVFEF-UHFFFAOYSA-N
XLogP0.96
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.96
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

1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol
CID 71246816
1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl thiocyanate
CID 142354021
2-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropan-1-ol
CID 82406626
2-(3,5-dimethyl-1,2-oxazol-4-yl)propanedioic acid
CID 162373151
2-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-1-ol
CID 82406639
(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine;hydrochloride
CID 127263741
3,4,5-trimethyl-1,2-oxazole
CID 25375
1-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(methylamino)butane-1,2-diol
CID 171889724
methyl 2-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 131448183
2-(dimethylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid
CID 82398410
2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoic acid
CID 47003039
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
CID 115626660

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-yn-1-ol?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-yn-1-ol (CID 86720328) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-yn-1-ol.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-yn-1-ol?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-yn-1-ol is C#CC(O)c1c(C)noc1C.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-yn-1-ol?
The InChIKey is ZJTHFEQEQHVFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-4-7(10)8-5(2)9-11-6(8)3/h1,7,10H,2-3H3.
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-yn-1-ol?
1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-yn-1-ol has a molecular weight of 151.16 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-yn-1-ol is sourced from PubChem (CID 86720328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).