(4-methyl-1,2-oxazol-3-yl)methanol

C5H7NO2 — CID 13492096

IUPAC(4-methyl-1,2-oxazol-3-yl)methanol
SMILESCc1conc1CO
InChIInChI=1S/C5H7NO2/c1-4-3-8-6-5(4)2-7/h3,7H,2H2,1H3
InChIKeyWNGBGXLNOIQJGE-UHFFFAOYSA-N
MW113.12 g/mol
LogP0.48
Rot. Bonds1

About (4-methyl-1,2-oxazol-3-yl)methanol

(4-methyl-1,2-oxazol-3-yl)methanol (PubChem CID 13492096) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is (4-methyl-1,2-oxazol-3-yl)methanol.

Molecular Properties

Compound Name(4-methyl-1,2-oxazol-3-yl)methanol
PubChem CID13492096
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name(4-methyl-1,2-oxazol-3-yl)methanol
SMILESCc1conc1CO
InChIInChI=1S/C5H7NO2/c1-4-3-8-6-5(4)2-7/h3,7H,2H2,1H3
InChIKeyWNGBGXLNOIQJGE-UHFFFAOYSA-N
XLogP0.48
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dimethylisoxazole
CID 328257
1,2-Oxazol-3-ylmethanol
CID 12905096
4-Methyl-1,2-oxazole-3-carboxylic acid
CID 21893605
(3-Methyl-1,2-oxazol-4-yl)methanol
CID 23440949
4-Methyl-1,2-oxazole-3-carbaldehyde
CID 28951011
[3-(Difluoromethyl)-1,2-oxazol-4-yl]methanol
CID 122236539
3-(Methoxymethyl)-1,2-oxazole-4-carbaldehyde
CID 137952136
Dioxymethylfurazan
CID 66718249
4-(Trifluoromethyl)isoxazole-3-carboxylic acid
CID 68721568
4-(Fluoromethyl)-1,2-oxazole-3-carboxylic acid
CID 70038557
4-(Difluoromethyl)-1,2-oxazole-3-carboxylic acid
CID 84651492
5-Deuterio-3,4-dimethyl-1,2-oxazole
CID 57540889

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,2-oxazol-3-yl)methanol?
The IUPAC name of (4-methyl-1,2-oxazol-3-yl)methanol (CID 13492096) is (4-methyl-1,2-oxazol-3-yl)methanol.
What is the SMILES notation for (4-methyl-1,2-oxazol-3-yl)methanol?
The canonical SMILES for (4-methyl-1,2-oxazol-3-yl)methanol is Cc1conc1CO.
What is the InChIKey of (4-methyl-1,2-oxazol-3-yl)methanol?
The InChIKey is WNGBGXLNOIQJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c1-4-3-8-6-5(4)2-7/h3,7H,2H2,1H3.
What are the key properties of (4-methyl-1,2-oxazol-3-yl)methanol?
(4-methyl-1,2-oxazol-3-yl)methanol has a molecular weight of 113.12 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,2-oxazol-3-yl)methanol is sourced from PubChem (CID 13492096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).