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

C18H15N5O2 — CID 53170080

IUPAC5-(2-methoxyphenyl)-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1nc(-c2nnn(-c3ccccc3)c2C)no1
InChIInChI=1S/C18H15N5O2/c1-12-16(20-22-23(12)13-8-4-3-5-9-13)17-19-18(25-21-17)14-10-6-7-11-15(14)24-2/h3-11H,1-2H3
InChIKeySVQUEDAROFLIDT-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.30
Rot. Bonds4

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

5-(2-methoxyphenyl)-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole (PubChem CID 53170080) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole
PubChem CID53170080
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name5-(2-methoxyphenyl)-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1nc(-c2nnn(-c3ccccc3)c2C)no1
InChIInChI=1S/C18H15N5O2/c1-12-16(20-22-23(12)13-8-4-3-5-9-13)17-19-18(25-21-17)14-10-6-7-11-15(14)24-2/h3-11H,1-2H3
InChIKeySVQUEDAROFLIDT-UHFFFAOYSA-N
XLogP3.30
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-fluorophenyl)-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole
CID 53170069
3-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole
CID 17015661
4-[3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 53170084
5-(3,5-dimethoxyphenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole
CID 53170093
5-[1-(3-chloro-4-methoxyphenyl)-5-methyltriazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 8721572
5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 18592001
5-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 16804761
5-[1-(4-bromophenyl)-5-methyltriazol-4-yl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 18592225
5-[1-(4-bromophenyl)-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 20937913
5-(2-methoxyphenyl)-4-methyl-1-phenyltriazole
CID 58856381
6-(2-chlorophenyl)-3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 91891607
5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methoxyphenyl)-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole (CID 53170080) is 5-(2-methoxyphenyl)-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methoxyphenyl)-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methoxyphenyl)-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole is COc1ccccc1-c1nc(-c2nnn(-c3ccccc3)c2C)no1.
What is the InChIKey of 5-(2-methoxyphenyl)-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is SVQUEDAROFLIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-12-16(20-22-23(12)13-8-4-3-5-9-13)17-19-18(25-21-17)14-10-6-7-11-15(14)24-2/h3-11H,1-2H3.
What are the key properties of 5-(2-methoxyphenyl)-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole?
5-(2-methoxyphenyl)-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 333.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53170080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).