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

C4H4ClNO2 — CID 11378512

IUPAC(2-chloro-1,3-oxazol-4-yl)methanol
SMILESOCc1coc(Cl)n1
InChIInChI=1S/C4H4ClNO2/c5-4-6-3(1-7)2-8-4/h2,7H,1H2
InChIKeyHMMQMGKNKSNKCV-UHFFFAOYSA-N
MW133.53 g/mol
LogP0.82
Rot. Bonds1

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

(2-chloro-1,3-oxazol-4-yl)methanol (PubChem CID 11378512) has the molecular formula C4H4ClNO2 and a molecular weight of 133.53 g/mol. Its IUPAC name is (2-chloro-1,3-oxazol-4-yl)methanol.

Molecular Properties

Compound Name(2-chloro-1,3-oxazol-4-yl)methanol
PubChem CID11378512
Molecular FormulaC4H4ClNO2
Molecular Weight133.53 g/mol
Exact Mass132.99
IUPAC Name(2-chloro-1,3-oxazol-4-yl)methanol
SMILESOCc1coc(Cl)n1
InChIInChI=1S/C4H4ClNO2/c5-4-6-3(1-7)2-8-4/h2,7H,1H2
InChIKeyHMMQMGKNKSNKCV-UHFFFAOYSA-N
XLogP0.82
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.53
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-1,3-oxazol-4-yl)methanol?
The IUPAC name of (2-chloro-1,3-oxazol-4-yl)methanol (CID 11378512) is (2-chloro-1,3-oxazol-4-yl)methanol.
What is the SMILES notation for (2-chloro-1,3-oxazol-4-yl)methanol?
The canonical SMILES for (2-chloro-1,3-oxazol-4-yl)methanol is OCc1coc(Cl)n1.
What is the InChIKey of (2-chloro-1,3-oxazol-4-yl)methanol?
The InChIKey is HMMQMGKNKSNKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClNO2/c5-4-6-3(1-7)2-8-4/h2,7H,1H2.
What are the key properties of (2-chloro-1,3-oxazol-4-yl)methanol?
(2-chloro-1,3-oxazol-4-yl)methanol has a molecular weight of 133.53 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1,3-oxazol-4-yl)methanol is sourced from PubChem (CID 11378512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).