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

C19H17N5O2 — CID 155547405

IUPAC3-[(1-benzyltriazol-4-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazol-2-one
SMILESCc1ccc(-c2nn(Cc3cn(Cc4ccccc4)nn3)c(=O)o2)cc1
InChIInChI=1S/C19H17N5O2/c1-14-7-9-16(10-8-14)18-21-24(19(25)26-18)13-17-12-23(22-20-17)11-15-5-3-2-4-6-15/h2-10,12H,11,13H2,1H3
InChIKeyBGZZXGFCGQKSPM-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.50
Rot. Bonds5

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

3-[(1-benzyltriazol-4-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazol-2-one (PubChem CID 155547405) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-[(1-benzyltriazol-4-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[(1-benzyltriazol-4-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazol-2-one
PubChem CID155547405
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name3-[(1-benzyltriazol-4-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazol-2-one
SMILESCc1ccc(-c2nn(Cc3cn(Cc4ccccc4)nn3)c(=O)o2)cc1
InChIInChI=1S/C19H17N5O2/c1-14-7-9-16(10-8-14)18-21-24(19(25)26-18)13-17-12-23(22-20-17)11-15-5-3-2-4-6-15/h2-10,12H,11,13H2,1H3
InChIKeyBGZZXGFCGQKSPM-UHFFFAOYSA-N
XLogP2.50
TPSA78.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(1-benzyltriazol-4-yl)methyl]-5-[(1-benzyltriazol-4-yl)methylsulfanyl]-3-(4-methylphenyl)-1,2,4-triazole
CID 71289252
3-[(4-methylphenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 3700631
[1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 62054469
1,4-dibenzyltriazole
CID 56663361
3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 72735142
5-phenyl-3-(trimethylsilylmethyl)-1,3,4-oxadiazol-2-one
CID 134106929
3-[2-(4-methylphenyl)sulfonylethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 3746046
1-benzyl-4-(2-phenylethyl)triazole
CID 56666792
6-[(1-benzyltriazol-4-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione
CID 118005174
2-(4-methylphenyl)-N-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,3-oxazole-4-carboxamide
CID 58120099
3-[(1-benzyltriazol-4-yl)methyl]-6-(4-chlorophenyl)quinazolin-4-one
CID 72735684
4-(bromomethyl)-1-[(4-phenylphenyl)methyl]triazole
CID 62399723

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzyltriazol-4-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[(1-benzyltriazol-4-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazol-2-one (CID 155547405) is 3-[(1-benzyltriazol-4-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[(1-benzyltriazol-4-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[(1-benzyltriazol-4-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazol-2-one is Cc1ccc(-c2nn(Cc3cn(Cc4ccccc4)nn3)c(=O)o2)cc1.
What is the InChIKey of 3-[(1-benzyltriazol-4-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazol-2-one?
The InChIKey is BGZZXGFCGQKSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-14-7-9-16(10-8-14)18-21-24(19(25)26-18)13-17-12-23(22-20-17)11-15-5-3-2-4-6-15/h2-10,12H,11,13H2,1H3.
What are the key properties of 3-[(1-benzyltriazol-4-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazol-2-one?
3-[(1-benzyltriazol-4-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazol-2-one has a molecular weight of 347.38 g/mol, XLogP of 2.50, 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-(4-methylphenyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 155547405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).