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

C15H9F3N2O2 — CID 164616426

IUPAC2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccccc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)10-7-5-9(6-8-10)13-19-14(22-20-13)11-3-1-2-4-12(11)21/h1-8,21H
InChIKeyBPZMTSRVPSGZIV-UHFFFAOYSA-N
MW306.24 g/mol
LogP4.13
Rot. Bonds2

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

2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 164616426) has the molecular formula C15H9F3N2O2 and a molecular weight of 306.24 g/mol. Its IUPAC name is 2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenol
PubChem CID164616426
Molecular FormulaC15H9F3N2O2
Molecular Weight306.24 g/mol
Exact Mass306.06
IUPAC Name2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccccc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)10-7-5-9(6-8-10)13-19-14(22-20-13)11-3-1-2-4-12(11)21/h1-8,21H
InChIKeyBPZMTSRVPSGZIV-UHFFFAOYSA-N
XLogP4.13
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenol (CID 164616426) is 2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenol is Oc1ccccc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of 2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is BPZMTSRVPSGZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2/c16-15(17,18)10-7-5-9(6-8-10)13-19-14(22-20-13)11-3-1-2-4-12(11)21/h1-8,21H.
What are the key properties of 2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenol?
2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 306.24 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 164616426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).