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

C5H6FNO2 — CID 122423770

IUPAC[2-(fluoromethyl)-1,3-oxazol-4-yl]methanol
SMILESOCc1coc(CF)n1
InChIInChI=1S/C5H6FNO2/c6-1-5-7-4(2-8)3-9-5/h3,8H,1-2H2
InChIKeyRNSDKDAOGWJATI-UHFFFAOYSA-N
MW131.11 g/mol
LogP0.64
Rot. Bonds2

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

[2-(fluoromethyl)-1,3-oxazol-4-yl]methanol (PubChem CID 122423770) has the molecular formula C5H6FNO2 and a molecular weight of 131.11 g/mol. Its IUPAC name is [2-(fluoromethyl)-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(fluoromethyl)-1,3-oxazol-4-yl]methanol
PubChem CID122423770
Molecular FormulaC5H6FNO2
Molecular Weight131.11 g/mol
Exact Mass131.04
IUPAC Name[2-(fluoromethyl)-1,3-oxazol-4-yl]methanol
SMILESOCc1coc(CF)n1
InChIInChI=1S/C5H6FNO2/c6-1-5-7-4(2-8)3-9-5/h3,8H,1-2H2
InChIKeyRNSDKDAOGWJATI-UHFFFAOYSA-N
XLogP0.64
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.11
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyloxazole-4-carboxylic acid
CID 539404
(2-Methyl-1,3-oxazol-4-yl)methanol
CID 5324810
1,3-Oxazol-4-ylmethanol
CID 15930578
2-Ethyl-1,3-oxazole-4-carboxylic acid
CID 21284955
(2-Bromo-1,3-oxazol-4-yl)methanol
CID 37818706
(2-Cyclopropyl-1,3-oxazol-4-yl)methanol
CID 53399651
2-(Trifluoromethyl)-1,3-oxazole-4-carboxylic acid
CID 67424422
2-(Difluoromethyl)-1,3-oxazole-4-carboxylic acid
CID 84764553
(2-Tert-butyl-1,3-oxazol-4-yl)methanol
CID 112756401
5-Deuterio-2-methyl-1,3-oxazole-4-carboxylic acid
CID 59316844
2-(Fluoromethyl)oxazole-4-carboxylic acid
CID 57475884
(2-(1,1-Difluoroethyl)oxazol-4-yl)methanol
CID 67127967

Frequently Asked Questions

What is the IUPAC name of [2-(fluoromethyl)-1,3-oxazol-4-yl]methanol?
The IUPAC name of [2-(fluoromethyl)-1,3-oxazol-4-yl]methanol (CID 122423770) is [2-(fluoromethyl)-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [2-(fluoromethyl)-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [2-(fluoromethyl)-1,3-oxazol-4-yl]methanol is OCc1coc(CF)n1.
What is the InChIKey of [2-(fluoromethyl)-1,3-oxazol-4-yl]methanol?
The InChIKey is RNSDKDAOGWJATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FNO2/c6-1-5-7-4(2-8)3-9-5/h3,8H,1-2H2.
What are the key properties of [2-(fluoromethyl)-1,3-oxazol-4-yl]methanol?
[2-(fluoromethyl)-1,3-oxazol-4-yl]methanol has a molecular weight of 131.11 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(fluoromethyl)-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 122423770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).