2-(2-chlorophenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole

C17H12ClN5O — CID 17014844

IUPAC2-(2-chlorophenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(-c3ccccc3Cl)o2)nnn1-c1ccccc1
InChIInChI=1S/C17H12ClN5O/c1-11-15(19-22-23(11)12-7-3-2-4-8-12)17-21-20-16(24-17)13-9-5-6-10-14(13)18/h2-10H,1H3
InChIKeyMFUAIDXMBZLKTD-UHFFFAOYSA-N
MW337.77 g/mol
LogP3.95
Rot. Bonds3

About 2-(2-chlorophenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole

2-(2-chlorophenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole (PubChem CID 17014844) has the molecular formula C17H12ClN5O and a molecular weight of 337.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole
PubChem CID17014844
Molecular FormulaC17H12ClN5O
Molecular Weight337.77 g/mol
Exact Mass337.07
IUPAC Name2-(2-chlorophenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(-c3ccccc3Cl)o2)nnn1-c1ccccc1
InChIInChI=1S/C17H12ClN5O/c1-11-15(19-22-23(11)12-7-3-2-4-8-12)17-21-20-16(24-17)13-9-5-6-10-14(13)18/h2-10H,1H3
InChIKeyMFUAIDXMBZLKTD-UHFFFAOYSA-N
XLogP3.95
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole (CID 17014844) is 2-(2-chlorophenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole is Cc1c(-c2nnc(-c3ccccc3Cl)o2)nnn1-c1ccccc1.
What is the InChIKey of 2-(2-chlorophenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole?
The InChIKey is MFUAIDXMBZLKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O/c1-11-15(19-22-23(11)12-7-3-2-4-8-12)17-21-20-16(24-17)13-9-5-6-10-14(13)18/h2-10H,1H3.
What are the key properties of 2-(2-chlorophenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole?
2-(2-chlorophenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole has a molecular weight of 337.77 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 17014844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).