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

C5H7NO2 — CID 5324810

IUPAC(2-methyl-1,3-oxazol-4-yl)methanol
SMILESCc1nc(CO)co1
InChIInChI=1S/C5H7NO2/c1-4-6-5(2-7)3-8-4/h3,7H,2H2,1H3
InChIKeyBGPDSEDYUPFTBI-UHFFFAOYSA-N
MW113.12 g/mol
LogP0.48
Rot. Bonds1

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

(2-methyl-1,3-oxazol-4-yl)methanol (PubChem CID 5324810) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is (2-methyl-1,3-oxazol-4-yl)methanol.

Molecular Properties

Compound Name(2-methyl-1,3-oxazol-4-yl)methanol
PubChem CID5324810
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name(2-methyl-1,3-oxazol-4-yl)methanol
SMILESCc1nc(CO)co1
InChIInChI=1S/C5H7NO2/c1-4-6-5(2-7)3-8-4/h3,7H,2H2,1H3
InChIKeyBGPDSEDYUPFTBI-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

2,4-Dimethyloxazole
CID 138961
2-Methyloxazole-4-carboxylic acid
CID 539404
2-Methyl-1,3-oxazole-4-carbaldehyde
CID 11073372
4-Methyl-1,3-oxazole-2-carbaldehyde
CID 14920524
1,3-Oxazol-4-ylmethanol
CID 15930578
2-Ethyl-1,3-oxazole-4-carboxylic acid
CID 21284955
2-(Propan-2-yl)-1,3-oxazole-4-carboxylic acid
CID 14964878
(2-Bromo-1,3-oxazol-4-yl)methanol
CID 37818706
(2-Cyclopropyl-1,3-oxazol-4-yl)methanol
CID 53399651
(4-Methyl-1,3-oxazol-2-yl)methanol
CID 59826795
(2-Tert-butyl-1,3-oxazol-4-yl)methanol
CID 112756401
5-Deuterio-2-methyl-1,3-oxazole-4-carboxylic acid
CID 59316844

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-oxazol-4-yl)methanol?
The IUPAC name of (2-methyl-1,3-oxazol-4-yl)methanol (CID 5324810) is (2-methyl-1,3-oxazol-4-yl)methanol.
What is the SMILES notation for (2-methyl-1,3-oxazol-4-yl)methanol?
The canonical SMILES for (2-methyl-1,3-oxazol-4-yl)methanol is Cc1nc(CO)co1.
What is the InChIKey of (2-methyl-1,3-oxazol-4-yl)methanol?
The InChIKey is BGPDSEDYUPFTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c1-4-6-5(2-7)3-8-4/h3,7H,2H2,1H3.
What are the key properties of (2-methyl-1,3-oxazol-4-yl)methanol?
(2-methyl-1,3-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 (2-methyl-1,3-oxazol-4-yl)methanol is sourced from PubChem (CID 5324810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).