[3-(difluoromethyl)-1,2-oxazol-4-yl]methanol

C5H5F2NO2 — CID 122236539

IUPAC[3-(difluoromethyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1conc1C(F)F
InChIInChI=1S/C5H5F2NO2/c6-5(7)4-3(1-9)2-10-8-4/h2,5,9H,1H2
InChIKeyCQLCTRGGKXOUKC-UHFFFAOYSA-N
MW149.10 g/mol
LogP1.10
Rot. Bonds2

About [3-(difluoromethyl)-1,2-oxazol-4-yl]methanol

[3-(difluoromethyl)-1,2-oxazol-4-yl]methanol (PubChem CID 122236539) has the molecular formula C5H5F2NO2 and a molecular weight of 149.10 g/mol. Its IUPAC name is [3-(difluoromethyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(difluoromethyl)-1,2-oxazol-4-yl]methanol
PubChem CID122236539
Molecular FormulaC5H5F2NO2
Molecular Weight149.10 g/mol
Exact Mass149.03
IUPAC Name[3-(difluoromethyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1conc1C(F)F
InChIInChI=1S/C5H5F2NO2/c6-5(7)4-3(1-9)2-10-8-4/h2,5,9H,1H2
InChIKeyCQLCTRGGKXOUKC-UHFFFAOYSA-N
XLogP1.10
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.10
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-(difluoromethyl)-1,2-oxazol-4-yl]methanol (CID 122236539) is [3-(difluoromethyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-(difluoromethyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-(difluoromethyl)-1,2-oxazol-4-yl]methanol is OCc1conc1C(F)F.
What is the InChIKey of [3-(difluoromethyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is CQLCTRGGKXOUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NO2/c6-5(7)4-3(1-9)2-10-8-4/h2,5,9H,1H2.
What are the key properties of [3-(difluoromethyl)-1,2-oxazol-4-yl]methanol?
[3-(difluoromethyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 149.10 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 122236539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).