5-[(4-ethoxyphenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole

C18H17N5O2 — CID 53173239

IUPAC5-[(4-ethoxyphenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
SMILESCCOc1ccc(Cc2nc(-c3ccc4nnc(C)n4c3)no2)cc1
InChIInChI=1S/C18H17N5O2/c1-3-24-15-7-4-13(5-8-15)10-17-19-18(22-25-17)14-6-9-16-21-20-12(2)23(16)11-14/h4-9,11H,3,10H2,1-2H3
InChIKeyKZWXKLDBCUEICC-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.08
Rot. Bonds5

About 5-[(4-ethoxyphenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole

5-[(4-ethoxyphenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole (PubChem CID 53173239) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 5-[(4-ethoxyphenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-ethoxyphenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
PubChem CID53173239
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name5-[(4-ethoxyphenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
SMILESCCOc1ccc(Cc2nc(-c3ccc4nnc(C)n4c3)no2)cc1
InChIInChI=1S/C18H17N5O2/c1-3-24-15-7-4-13(5-8-15)10-17-19-18(22-25-17)14-6-9-16-21-20-12(2)23(16)11-14/h4-9,11H,3,10H2,1-2H3
InChIKeyKZWXKLDBCUEICC-UHFFFAOYSA-N
XLogP3.08
TPSA78.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(4-methoxyphenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
CID 53173246
5-[(4-ethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 806936
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105
3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole
CID 167833882
3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 6459156
5-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 888655
3-(4-methoxyphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895154
5-[(4-methoxyphenyl)methyl]-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53035897
5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 895193
3-(4-ethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527903
3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895143
1-(4-ethoxyphenyl)-3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiourea
CID 100758860

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxyphenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-ethoxyphenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole (CID 53173239) is 5-[(4-ethoxyphenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-ethoxyphenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-ethoxyphenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole is CCOc1ccc(Cc2nc(-c3ccc4nnc(C)n4c3)no2)cc1.
What is the InChIKey of 5-[(4-ethoxyphenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The InChIKey is KZWXKLDBCUEICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-3-24-15-7-4-13(5-8-15)10-17-19-18(22-25-17)14-6-9-16-21-20-12(2)23(16)11-14/h4-9,11H,3,10H2,1-2H3.
What are the key properties of 5-[(4-ethoxyphenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
5-[(4-ethoxyphenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole has a molecular weight of 335.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyphenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53173239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).