[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanol

C10H7F3N2O2 — CID 2782986

IUPAC[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)7-3-1-2-6(4-7)9-14-8(5-16)17-15-9/h1-4,16H,5H2
InChIKeyBXASARCCEDPFHU-UHFFFAOYSA-N
MW244.17 g/mol
LogP2.25
Rot. Bonds2

About [3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanol

[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 2782986) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is [3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanol
PubChem CID2782986
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)7-3-1-2-6(4-7)9-14-8(5-16)17-15-9/h1-4,16H,5H2
InChIKeyBXASARCCEDPFHU-UHFFFAOYSA-N
XLogP2.25
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanol (CID 2782986) is [3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanol is OCc1nc(-c2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of [3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is BXASARCCEDPFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c11-10(12,13)7-3-1-2-6(4-7)9-14-8(5-16)17-15-9/h1-4,16H,5H2.
What are the key properties of [3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanol?
[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 244.17 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 2782986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).