2-(2-methylphenyl)-5-(2,3,4,5,6-pentafluorophenyl)-1,3,4-oxadiazole

C15H7F5N2O — CID 102525584

IUPAC2-(2-methylphenyl)-5-(2,3,4,5,6-pentafluorophenyl)-1,3,4-oxadiazole
SMILESCc1ccccc1-c1nnc(-c2c(F)c(F)c(F)c(F)c2F)o1
InChIInChI=1S/C15H7F5N2O/c1-6-4-2-3-5-7(6)14-21-22-15(23-14)8-9(16)11(18)13(20)12(19)10(8)17/h2-5H,1H3
InChIKeyZJVYEPSJVQLSHP-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.41
Rot. Bonds2

About 2-(2-methylphenyl)-5-(2,3,4,5,6-pentafluorophenyl)-1,3,4-oxadiazole

2-(2-methylphenyl)-5-(2,3,4,5,6-pentafluorophenyl)-1,3,4-oxadiazole (PubChem CID 102525584) has the molecular formula C15H7F5N2O and a molecular weight of 326.22 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5-(2,3,4,5,6-pentafluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methylphenyl)-5-(2,3,4,5,6-pentafluorophenyl)-1,3,4-oxadiazole
PubChem CID102525584
Molecular FormulaC15H7F5N2O
Molecular Weight326.22 g/mol
Exact Mass326.05
IUPAC Name2-(2-methylphenyl)-5-(2,3,4,5,6-pentafluorophenyl)-1,3,4-oxadiazole
SMILESCc1ccccc1-c1nnc(-c2c(F)c(F)c(F)c(F)c2F)o1
InChIInChI=1S/C15H7F5N2O/c1-6-4-2-3-5-7(6)14-21-22-15(23-14)8-9(16)11(18)13(20)12(19)10(8)17/h2-5H,1H3
InChIKeyZJVYEPSJVQLSHP-UHFFFAOYSA-N
XLogP4.41
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 15957134
2-(2-methylphenyl)-5-methylsulfanyl-1,3,4-oxadiazole
CID 19060529
2-(2-methylphenyl)-5-pyridin-2-yl-1,3,4-oxadiazole
CID 15957151
2,6-difluoro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652104
(1S)-1-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 42046774
4-bromo-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 155569508
2-(3-chloroquinoxalin-2-yl)-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 58247209
2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 53017493
[2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 135391526
3,4-difluoro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652105
2-(2-methylphenyl)-5-(propan-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 110656446
2-(4-tert-butylphenyl)-5-[4-(2-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 142929751

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5-(2,3,4,5,6-pentafluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methylphenyl)-5-(2,3,4,5,6-pentafluorophenyl)-1,3,4-oxadiazole (CID 102525584) is 2-(2-methylphenyl)-5-(2,3,4,5,6-pentafluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methylphenyl)-5-(2,3,4,5,6-pentafluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methylphenyl)-5-(2,3,4,5,6-pentafluorophenyl)-1,3,4-oxadiazole is Cc1ccccc1-c1nnc(-c2c(F)c(F)c(F)c(F)c2F)o1.
What is the InChIKey of 2-(2-methylphenyl)-5-(2,3,4,5,6-pentafluorophenyl)-1,3,4-oxadiazole?
The InChIKey is ZJVYEPSJVQLSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F5N2O/c1-6-4-2-3-5-7(6)14-21-22-15(23-14)8-9(16)11(18)13(20)12(19)10(8)17/h2-5H,1H3.
What are the key properties of 2-(2-methylphenyl)-5-(2,3,4,5,6-pentafluorophenyl)-1,3,4-oxadiazole?
2-(2-methylphenyl)-5-(2,3,4,5,6-pentafluorophenyl)-1,3,4-oxadiazole has a molecular weight of 326.22 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-5-(2,3,4,5,6-pentafluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 102525584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).