2,3-difluoro-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]phenol

C15H10F3N3O2 — CID 135862895

IUPAC2,3-difluoro-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]phenol
SMILESOc1ccc(-c2nnc(NCc3cccc(F)c3)o2)c(F)c1F
InChIInChI=1S/C15H10F3N3O2/c16-9-3-1-2-8(6-9)7-19-15-21-20-14(23-15)10-4-5-11(22)13(18)12(10)17/h1-6,22H,7H2,(H,19,21)
InChIKeyQVVQKBFDGYBUTH-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.47
Rot. Bonds4

About 2,3-difluoro-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]phenol

2,3-difluoro-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 135862895) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 2,3-difluoro-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name2,3-difluoro-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]phenol
PubChem CID135862895
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Name2,3-difluoro-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]phenol
SMILESOc1ccc(-c2nnc(NCc3cccc(F)c3)o2)c(F)c1F
InChIInChI=1S/C15H10F3N3O2/c16-9-3-1-2-8(6-9)7-19-15-21-20-14(23-15)10-4-5-11(22)13(18)12(10)17/h1-6,22H,7H2,(H,19,21)
InChIKeyQVVQKBFDGYBUTH-UHFFFAOYSA-N
XLogP3.47
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 2,3-difluoro-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]phenol (CID 135862895) is 2,3-difluoro-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 2,3-difluoro-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 2,3-difluoro-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]phenol is Oc1ccc(-c2nnc(NCc3cccc(F)c3)o2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is QVVQKBFDGYBUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c16-9-3-1-2-8(6-9)7-19-15-21-20-14(23-15)10-4-5-11(22)13(18)12(10)17/h1-6,22H,7H2,(H,19,21).
What are the key properties of 2,3-difluoro-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]phenol?
2,3-difluoro-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 321.26 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 135862895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).