3-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazol-2-one

C18H15N5O2 — CID 155525892

IUPAC3-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccccc2)nn1Cc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C18H15N5O2/c24-18-23(20-17(25-18)15-9-5-2-6-10-15)13-16-12-22(21-19-16)11-14-7-3-1-4-8-14/h1-10,12H,11,13H2
InChIKeyMVCVWYCCKMJNDO-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.19
Rot. Bonds5

About 3-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazol-2-one

3-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazol-2-one (PubChem CID 155525892) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 3-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazol-2-one
PubChem CID155525892
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name3-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccccc2)nn1Cc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C18H15N5O2/c24-18-23(20-17(25-18)15-9-5-2-6-10-15)13-16-12-22(21-19-16)11-14-7-3-1-4-8-14/h1-10,12H,11,13H2
InChIKeyMVCVWYCCKMJNDO-UHFFFAOYSA-N
XLogP2.19
TPSA78.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazol-2-one (CID 155525892) is 3-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazol-2-one is O=c1oc(-c2ccccc2)nn1Cc1cn(Cc2ccccc2)nn1.
What is the InChIKey of 3-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazol-2-one?
The InChIKey is MVCVWYCCKMJNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c24-18-23(20-17(25-18)15-9-5-2-6-10-15)13-16-12-22(21-19-16)11-14-7-3-1-4-8-14/h1-10,12H,11,13H2.
What are the key properties of 3-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazol-2-one?
3-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazol-2-one has a molecular weight of 333.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 155525892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).