2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-oxadiazole

C18H15N5O2 — CID 17015210

IUPAC2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1cccc(-n2nnc(-c3nnc(-c4ccccc4)o3)c2C)c1
InChIInChI=1S/C18H15N5O2/c1-12-16(18-21-20-17(25-18)13-7-4-3-5-8-13)19-22-23(12)14-9-6-10-15(11-14)24-2/h3-11H,1-2H3
InChIKeyDIGZBZHCNYXABH-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.30
Rot. Bonds4

About 2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-oxadiazole

2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 17015210) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID17015210
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1cccc(-n2nnc(-c3nnc(-c4ccccc4)o3)c2C)c1
InChIInChI=1S/C18H15N5O2/c1-12-16(18-21-20-17(25-18)13-7-4-3-5-8-13)19-22-23(12)14-9-6-10-15(11-14)24-2/h3-11H,1-2H3
InChIKeyDIGZBZHCNYXABH-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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-oxadiazole (CID 17015210) is 2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-oxadiazole is COc1cccc(-n2nnc(-c3nnc(-c4ccccc4)o3)c2C)c1.
What is the InChIKey of 2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is DIGZBZHCNYXABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-12-16(18-21-20-17(25-18)13-7-4-3-5-8-13)19-22-23(12)14-9-6-10-15(11-14)24-2/h3-11H,1-2H3.
What are the key properties of 2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-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 2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 17015210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).