2-chloro-5-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazole

C9H6ClFN2O — CID 114770871

IUPAC2-chloro-5-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(Cl)o2)c(F)c1
InChIInChI=1S/C9H6ClFN2O/c1-5-2-3-6(7(11)4-5)8-12-13-9(10)14-8/h2-4H,1H3
InChIKeyFGMNOAPAQSAMCD-UHFFFAOYSA-N
MW212.61 g/mol
LogP2.84
Rot. Bonds1

About 2-chloro-5-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazole

2-chloro-5-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazole (PubChem CID 114770871) has the molecular formula C9H6ClFN2O and a molecular weight of 212.61 g/mol. Its IUPAC name is 2-chloro-5-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-chloro-5-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazole
PubChem CID114770871
Molecular FormulaC9H6ClFN2O
Molecular Weight212.61 g/mol
Exact Mass212.02
IUPAC Name2-chloro-5-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(Cl)o2)c(F)c1
InChIInChI=1S/C9H6ClFN2O/c1-5-2-3-6(7(11)4-5)8-12-13-9(10)14-8/h2-4H,1H3
InChIKeyFGMNOAPAQSAMCD-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

2-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-oxadiazole
CID 114770970
2,5-bis(2-chloro-4-methylphenyl)-1,3,4-oxadiazole
CID 59937379
2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole
CID 114770729
2-chloro-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
CID 114771038
3-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 55039360
1-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164952
2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazole
CID 107996197
2-chloro-5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazole
CID 114770814
2-chloro-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 130778751
2-fluoro-1-(2-fluorophenyl)-4-methylbenzene
CID 46313956
1-(2,5-dimethylphenyl)-2-fluoro-4-methylbenzene
CID 138652236
2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-oxadiazole
CID 114771183

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-chloro-5-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazole (CID 114770871) is 2-chloro-5-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-chloro-5-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-chloro-5-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(Cl)o2)c(F)c1.
What is the InChIKey of 2-chloro-5-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is FGMNOAPAQSAMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O/c1-5-2-3-6(7(11)4-5)8-12-13-9(10)14-8/h2-4H,1H3.
What are the key properties of 2-chloro-5-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazole?
2-chloro-5-(2-fluoro-4-methylphenyl)-1,3,4-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 2-chloro-5-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 114770871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).