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

C15H11F2N3O2 — CID 135665940

IUPAC4-(2,4-difluorophenyl)-2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]phenol
SMILESCNc1nnc(-c2cc(-c3ccc(F)cc3F)ccc2O)o1
InChIInChI=1S/C15H11F2N3O2/c1-18-15-20-19-14(22-15)11-6-8(2-5-13(11)21)10-4-3-9(16)7-12(10)17/h2-7,21H,1H3,(H,18,20)
InChIKeyPCHZXYPJJAIJPG-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.43
Rot. Bonds3

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

4-(2,4-difluorophenyl)-2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 135665940) has the molecular formula C15H11F2N3O2 and a molecular weight of 303.27 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]phenol
PubChem CID135665940
Molecular FormulaC15H11F2N3O2
Molecular Weight303.27 g/mol
Exact Mass303.08
IUPAC Name4-(2,4-difluorophenyl)-2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]phenol
SMILESCNc1nnc(-c2cc(-c3ccc(F)cc3F)ccc2O)o1
InChIInChI=1S/C15H11F2N3O2/c1-18-15-20-19-14(22-15)11-6-8(2-5-13(11)21)10-4-3-9(16)7-12(10)17/h2-7,21H,1H3,(H,18,20)
InChIKeyPCHZXYPJJAIJPG-UHFFFAOYSA-N
XLogP3.43
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-Difluorophenyl)-2-[5-(prop-2-enylamino)-1,3,4-oxadiazol-2-yl]phenol
CID 135665944
2-[5-(Cyclohexylamino)-1,3,4-oxadiazol-2-yl]-4-(2,4-difluorophenyl)phenol
CID 135425206
2-[5-(Cyclohexylamino)-1,3,4-oxadiazol-2-yl]-4-(3,5-difluorophenyl)phenol
CID 135465458
4-(2,4-Difluorophenyl)-2-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenol
CID 135665943
2-(5-Anilino-1,3,4-oxadiazol-2-yl)-4-(2,4-difluorophenyl)phenol
CID 135665945
3-Ethyl-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol
CID 135862890
2-(2-imino-3H-1,3,4-oxadiazol-5-yl)phenol
CID 383520
2,3-Difluoro-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]phenol
CID 135862895
2-[5-(Trifluoromethylamino)-1,3,4-oxadiazol-2-yl]phenol
CID 174598037
2-[[[5-[3-(Difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-4-methylphenol
CID 100629758
4-(2,4-Difluorophenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol
CID 172890403
2-(5-Amino-1,3,4-oxadiazol-2-yl)naphthalen-1-ol
CID 137730495

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 4-(2,4-difluorophenyl)-2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]phenol (CID 135665940) is 4-(2,4-difluorophenyl)-2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 4-(2,4-difluorophenyl)-2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 4-(2,4-difluorophenyl)-2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]phenol is CNc1nnc(-c2cc(-c3ccc(F)cc3F)ccc2O)o1.
What is the InChIKey of 4-(2,4-difluorophenyl)-2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is PCHZXYPJJAIJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2/c1-18-15-20-19-14(22-15)11-6-8(2-5-13(11)21)10-4-3-9(16)7-12(10)17/h2-7,21H,1H3,(H,18,20).
What are the key properties of 4-(2,4-difluorophenyl)-2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]phenol?
4-(2,4-difluorophenyl)-2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 303.27 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 135665940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).