[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanol

C6H6F3NO2 — CID 67357008

IUPAC[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanol
SMILESCc1nc(CO)c(C(F)(F)F)o1
InChIInChI=1S/C6H6F3NO2/c1-3-10-4(2-11)5(12-3)6(7,8)9/h11H,2H2,1H3
InChIKeyDGWRCLNOFLEWCJ-UHFFFAOYSA-N
MW181.11 g/mol
LogP1.49
Rot. Bonds1

About [2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanol

[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanol (PubChem CID 67357008) has the molecular formula C6H6F3NO2 and a molecular weight of 181.11 g/mol. Its IUPAC name is [2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanol
PubChem CID67357008
Molecular FormulaC6H6F3NO2
Molecular Weight181.11 g/mol
Exact Mass181.04
IUPAC Name[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanol
SMILESCc1nc(CO)c(C(F)(F)F)o1
InChIInChI=1S/C6H6F3NO2/c1-3-10-4(2-11)5(12-3)6(7,8)9/h11H,2H2,1H3
InChIKeyDGWRCLNOFLEWCJ-UHFFFAOYSA-N
XLogP1.49
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.11
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanol?
The IUPAC name of [2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanol (CID 67357008) is [2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanol is Cc1nc(CO)c(C(F)(F)F)o1.
What is the InChIKey of [2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanol?
The InChIKey is DGWRCLNOFLEWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO2/c1-3-10-4(2-11)5(12-3)6(7,8)9/h11H,2H2,1H3.
What are the key properties of [2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanol?
[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanol has a molecular weight of 181.11 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 67357008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).