3-(2-chlorophenyl)-5-[1-(3-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole

C18H13ClFN5O — CID 8721420

IUPAC3-(2-chlorophenyl)-5-[1-(3-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole
SMILESCc1ccc(-n2nnc(-c3nc(-c4ccccc4Cl)no3)c2C)cc1F
InChIInChI=1S/C18H13ClFN5O/c1-10-7-8-12(9-15(10)20)25-11(2)16(22-24-25)18-21-17(23-26-18)13-5-3-4-6-14(13)19/h3-9H,1-2H3
InChIKeyQDMZFMYYSMJWLL-UHFFFAOYSA-N
MW369.79 g/mol
LogP4.39
Rot. Bonds3

About 3-(2-chlorophenyl)-5-[1-(3-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole

3-(2-chlorophenyl)-5-[1-(3-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole (PubChem CID 8721420) has the molecular formula C18H13ClFN5O and a molecular weight of 369.79 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-[1-(3-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-[1-(3-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole
PubChem CID8721420
Molecular FormulaC18H13ClFN5O
Molecular Weight369.79 g/mol
Exact Mass369.08
IUPAC Name3-(2-chlorophenyl)-5-[1-(3-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole
SMILESCc1ccc(-n2nnc(-c3nc(-c4ccccc4Cl)no3)c2C)cc1F
InChIInChI=1S/C18H13ClFN5O/c1-10-7-8-12(9-15(10)20)25-11(2)16(22-24-25)18-21-17(23-26-18)13-5-3-4-6-14(13)19/h3-9H,1-2H3
InChIKeyQDMZFMYYSMJWLL-UHFFFAOYSA-N
XLogP4.39
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.79
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 18592001
5-[1-(3-chloro-4-methoxyphenyl)-5-methyltriazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 8721572
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-difluorophenyl)pyridazin-4-one
CID 53135324
3-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole
CID 17015661
5-[1-(4-bromophenyl)-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 20937913
5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 20937970
5-(4-fluorophenyl)-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole
CID 53170069
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine
CID 7470703
3-(2,3-dimethylphenyl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 20904403
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide
CID 27375708
3-(3-ethylphenyl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 7470737
3-(4-methoxyphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 20904477

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-[1-(3-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-chlorophenyl)-5-[1-(3-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole (CID 8721420) is 3-(2-chlorophenyl)-5-[1-(3-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-[1-(3-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-[1-(3-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole is Cc1ccc(-n2nnc(-c3nc(-c4ccccc4Cl)no3)c2C)cc1F.
What is the InChIKey of 3-(2-chlorophenyl)-5-[1-(3-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole?
The InChIKey is QDMZFMYYSMJWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN5O/c1-10-7-8-12(9-15(10)20)25-11(2)16(22-24-25)18-21-17(23-26-18)13-5-3-4-6-14(13)19/h3-9H,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-5-[1-(3-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole?
3-(2-chlorophenyl)-5-[1-(3-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 369.79 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-[1-(3-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 8721420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).