3-(4-chloro-3-fluorophenyl)-5-methyl-1,2,4-oxadiazole

C9H6ClFN2O — CID 170771267

IUPAC3-(4-chloro-3-fluorophenyl)-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(Cl)c(F)c2)no1
InChIInChI=1S/C9H6ClFN2O/c1-5-12-9(13-14-5)6-2-3-7(10)8(11)4-6/h2-4H,1H3
InChIKeyTUIIKCKWLGYPPW-UHFFFAOYSA-N
MW212.61 g/mol
LogP2.84
Rot. Bonds1

About 3-(4-chloro-3-fluorophenyl)-5-methyl-1,2,4-oxadiazole

3-(4-chloro-3-fluorophenyl)-5-methyl-1,2,4-oxadiazole (PubChem CID 170771267) has the molecular formula C9H6ClFN2O and a molecular weight of 212.61 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-5-methyl-1,2,4-oxadiazole
PubChem CID170771267
Molecular FormulaC9H6ClFN2O
Molecular Weight212.61 g/mol
Exact Mass212.02
IUPAC Name3-(4-chloro-3-fluorophenyl)-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(Cl)c(F)c2)no1
InChIInChI=1S/C9H6ClFN2O/c1-5-12-9(13-14-5)6-2-3-7(10)8(11)4-6/h2-4H,1H3
InChIKeyTUIIKCKWLGYPPW-UHFFFAOYSA-N
XLogP2.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.61
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole
CID 684002
3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 59007023
3-(4-chloro-3-fluorophenyl)-5-(2,2-dimethyl-3,4-dihydropyran-6-yl)-1,2,4-oxadiazole
CID 175997002
3-(4-chloro-3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 95733033
1-[[2-(4-chloro-3-fluorophenoxy)-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidin-2-one
CID 118454367
3-(3-fluoro-4-methylphenyl)-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-1,2,4-oxadiazole
CID 51333661
3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole
CID 67475214
3-[4-bromo-3-(trifluoromethyl)phenyl]-5-methyl-1,2,4-oxadiazole
CID 163238615
3-(4-bromo-3,5-dimethylphenyl)-5-methyl-1,2,4-oxadiazole
CID 86697340
2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol
CID 135449004
4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 81494253
3-(1-chloroethyl)-5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazole
CID 107989150

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-5-methyl-1,2,4-oxadiazole (CID 170771267) is 3-(4-chloro-3-fluorophenyl)-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-5-methyl-1,2,4-oxadiazole is Cc1nc(-c2ccc(Cl)c(F)c2)no1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-5-methyl-1,2,4-oxadiazole?
The InChIKey is TUIIKCKWLGYPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O/c1-5-12-9(13-14-5)6-2-3-7(10)8(11)4-6/h2-4H,1H3.
What are the key properties of 3-(4-chloro-3-fluorophenyl)-5-methyl-1,2,4-oxadiazole?
3-(4-chloro-3-fluorophenyl)-5-methyl-1,2,4-oxadiazole has a molecular weight of 212.61 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 170771267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).