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

C15H9F3N2O3 — CID 137284695

IUPAC4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1
InChIInChI=1S/C15H9F3N2O3/c16-15(17,18)22-12-7-3-9(4-8-12)13-19-14(23-20-13)10-1-5-11(21)6-2-10/h1-8,21H
InChIKeyCGEDTIBXZUEOEX-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.01
Rot. Bonds3

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

4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 137284695) has the molecular formula C15H9F3N2O3 and a molecular weight of 322.24 g/mol. Its IUPAC name is 4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol
PubChem CID137284695
Molecular FormulaC15H9F3N2O3
Molecular Weight322.24 g/mol
Exact Mass322.06
IUPAC Name4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1
InChIInChI=1S/C15H9F3N2O3/c16-15(17,18)22-12-7-3-9(4-8-12)13-19-14(23-20-13)10-1-5-11(21)6-2-10/h1-8,21H
InChIKeyCGEDTIBXZUEOEX-UHFFFAOYSA-N
XLogP4.01
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol (CID 137284695) is 4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol is Oc1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1.
What is the InChIKey of 4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is CGEDTIBXZUEOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O3/c16-15(17,18)22-12-7-3-9(4-8-12)13-19-14(23-20-13)10-1-5-11(21)6-2-10/h1-8,21H.
What are the key properties of 4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol?
4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 322.24 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 137284695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).