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

C5H7NO2 — CID 23440949

IUPAC(3-methyl-1,2-oxazol-4-yl)methanol
SMILESCc1nocc1CO
InChIInChI=1S/C5H7NO2/c1-4-5(2-7)3-8-6-4/h3,7H,2H2,1H3
InChIKeyIKGIRSAMZDRLHN-UHFFFAOYSA-N
MW113.12 g/mol
LogP0.48
Rot. Bonds1

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

(3-methyl-1,2-oxazol-4-yl)methanol (PubChem CID 23440949) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-4-yl)methanol.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-4-yl)methanol
PubChem CID23440949
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name(3-methyl-1,2-oxazol-4-yl)methanol
SMILESCc1nocc1CO
InChIInChI=1S/C5H7NO2/c1-4-5(2-7)3-8-6-4/h3,7H,2H2,1H3
InChIKeyIKGIRSAMZDRLHN-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

3-Methyl-1,2-oxazole-4-carboxylic acid
CID 4589692
Dimethylisoxazole
CID 328257
4-Methyl-1,2-oxazole-3-carbaldehyde
CID 28951011
3-Methyl-1,2-oxazole-4-carbaldehyde
CID 28951015
3-(Trifluoromethyl)-1,2-oxazole-4-carboxylic acid
CID 51063806
(3-Ethyl-1,2-oxazol-4-yl)methanol
CID 119057030
3-(Chloromethyl)-1,2-oxazole-4-carboxylic acid
CID 137951693
(4-Methylisoxazol-3-yl)methanol
CID 13492096
1-(3-Methyl-1,2-oxazol-4-yl)ethan-1-ol
CID 122163695
[3-(Difluoromethyl)-1,2-oxazol-4-yl]methanol
CID 122236539
(3-(Trifluoromethyl)-1,2-oxazol-4-yl)methanol
CID 45099323
4-Methyl-3-(trifluoromethyl)isoxazole
CID 45099016

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-4-yl)methanol?
The IUPAC name of (3-methyl-1,2-oxazol-4-yl)methanol (CID 23440949) is (3-methyl-1,2-oxazol-4-yl)methanol.
What is the SMILES notation for (3-methyl-1,2-oxazol-4-yl)methanol?
The canonical SMILES for (3-methyl-1,2-oxazol-4-yl)methanol is Cc1nocc1CO.
What is the InChIKey of (3-methyl-1,2-oxazol-4-yl)methanol?
The InChIKey is IKGIRSAMZDRLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c1-4-5(2-7)3-8-6-4/h3,7H,2H2,1H3.
What are the key properties of (3-methyl-1,2-oxazol-4-yl)methanol?
(3-methyl-1,2-oxazol-4-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 (3-methyl-1,2-oxazol-4-yl)methanol is sourced from PubChem (CID 23440949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).