3-(4-methoxyphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine

C18H16N6O2 — CID 20904477

IUPAC3-(4-methoxyphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
SMILESCOc1ccc(-n2nnc(-c3nc(-c4ccccc4C)no3)c2N)cc1
InChIInChI=1S/C18H16N6O2/c1-11-5-3-4-6-14(11)17-20-18(26-22-17)15-16(19)24(23-21-15)12-7-9-13(25-2)10-8-12/h3-10H,19H2,1-2H3
InChIKeyRYFGABSNAUBAAQ-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.88
Rot. Bonds4

About 3-(4-methoxyphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine

3-(4-methoxyphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine (PubChem CID 20904477) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
PubChem CID20904477
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name3-(4-methoxyphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
SMILESCOc1ccc(-n2nnc(-c3nc(-c4ccccc4C)no3)c2N)cc1
InChIInChI=1S/C18H16N6O2/c1-11-5-3-4-6-14(11)17-20-18(26-22-17)15-16(19)24(23-21-15)12-7-9-13(25-2)10-8-12/h3-10H,19H2,1-2H3
InChIKeyRYFGABSNAUBAAQ-UHFFFAOYSA-N
XLogP2.88
TPSA104.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2,3-dimethylphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 20904472
3-(4-bromophenyl)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 16833201
5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 18592001
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine
CID 7470703
5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine
CID 20904427
5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
3-(2,3-dimethylphenyl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 20904403
5-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)triazol-4-amine
CID 53034220
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3,4-dimethoxyphenyl)triazol-4-amine
CID 7183538
3-(4-ethoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 7185254
3-(3-ethylphenyl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 7470737
5-(2-methoxyphenyl)-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole
CID 53170080

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine?
The IUPAC name of 3-(4-methoxyphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine (CID 20904477) is 3-(4-methoxyphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine is COc1ccc(-n2nnc(-c3nc(-c4ccccc4C)no3)c2N)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine?
The InChIKey is RYFGABSNAUBAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-11-5-3-4-6-14(11)17-20-18(26-22-17)15-16(19)24(23-21-15)12-7-9-13(25-2)10-8-12/h3-10H,19H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine?
3-(4-methoxyphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine has a molecular weight of 348.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine is sourced from PubChem (CID 20904477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).