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

C5H7NO2 — CID 2736567

IUPAC(5-methyl-1,2-oxazol-3-yl)methanol
SMILESCc1cc(CO)no1
InChIInChI=1S/C5H7NO2/c1-4-2-5(3-7)6-8-4/h2,7H,3H2,1H3
InChIKeyMDYHWQQHEWDJKR-UHFFFAOYSA-N
MW113.12 g/mol
LogP0.48
Rot. Bonds1

About (5-methyl-1,2-oxazol-3-yl)methanol

(5-methyl-1,2-oxazol-3-yl)methanol (PubChem CID 2736567) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methanol.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methanol
PubChem CID2736567
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methanol
SMILESCc1cc(CO)no1
InChIInChI=1S/C5H7NO2/c1-4-2-5(3-7)6-8-4/h2,7H,3H2,1H3
InChIKeyMDYHWQQHEWDJKR-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

3,5-Dimethylisoxazole
CID 9312
3-Methyl-5-isoxazolecarboxylic acid
CID 76947
(3-Methylisoxazol-5-yl)methanol
CID 10820493
5-(Hydroxymethyl)-1,2-oxazole-3-carboxylic acid
CID 8027249
[5-(Trifluoromethyl)-1,2-oxazol-3-yl]methanol
CID 15365200
1-(5-Methyl-1,2-oxazol-3-yl)ethan-1-ol
CID 13321090
5-(Difluoromethyl)-1,2-oxazole-3-carboxylic acid
CID 84651491
(5-Tert-butyl-1,2-oxazol-3-yl)methanol
CID 10820794
[5-(Propan-2-yl)-1,2-oxazol-3-yl]methanol
CID 25220768
5-(Fluoromethyl)-1,2-oxazole-3-carboxylic acid
CID 10374574
(5-Ethyl-1,2-oxazol-3-yl)methanol
CID 12278245
(3-(Trifluoromethyl)-1,2-oxazol-5-yl)methanol
CID 13307993

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methanol?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methanol (CID 2736567) is (5-methyl-1,2-oxazol-3-yl)methanol.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methanol?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methanol is Cc1cc(CO)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methanol?
The InChIKey is MDYHWQQHEWDJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c1-4-2-5(3-7)6-8-4/h2,7H,3H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methanol?
(5-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 (5-methyl-1,2-oxazol-3-yl)methanol is sourced from PubChem (CID 2736567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).