1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one

C17H13N5O3 — CID 47045867

IUPAC1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one
SMILESO=c1ccc(-c2nnco2)cn1Cc1nc(Cc2ccccc2)no1
InChIInChI=1S/C17H13N5O3/c23-16-7-6-13(17-20-18-11-24-17)9-22(16)10-15-19-14(21-25-15)8-12-4-2-1-3-5-12/h1-7,9,11H,8,10H2
InChIKeyWJCLTYFNDNPPHO-UHFFFAOYSA-N
MW335.32 g/mol
LogP1.92
Rot. Bonds5

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

1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one (PubChem CID 47045867) has the molecular formula C17H13N5O3 and a molecular weight of 335.32 g/mol. Its IUPAC name is 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one
PubChem CID47045867
Molecular FormulaC17H13N5O3
Molecular Weight335.32 g/mol
Exact Mass335.10
IUPAC Name1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one
SMILESO=c1ccc(-c2nnco2)cn1Cc1nc(Cc2ccccc2)no1
InChIInChI=1S/C17H13N5O3/c23-16-7-6-13(17-20-18-11-24-17)9-22(16)10-15-19-14(21-25-15)8-12-4-2-1-3-5-12/h1-7,9,11H,8,10H2
InChIKeyWJCLTYFNDNPPHO-UHFFFAOYSA-N
XLogP1.92
TPSA99.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-(1,3,4-oxadiazol-2-yl)-1-[(1-phenylpyrazol-4-yl)methyl]pyridin-2-one
CID 167838278
1-[(2-fluorophenyl)methyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one
CID 47045849
1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one
CID 47058481
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carbaldehyde
CID 66216585
3-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
CID 39755777
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 125306407
(3S,4R)-1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 79410414
1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one
CID 53498269
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile
CID 38876554
(3R)-1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 63365319
3-benzyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 35101653
3-benzyl-5-(1,4-diazepan-1-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 119906219

Frequently Asked Questions

What is the IUPAC name of 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one?
The IUPAC name of 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one (CID 47045867) is 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one.
What is the SMILES notation for 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one?
The canonical SMILES for 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one is O=c1ccc(-c2nnco2)cn1Cc1nc(Cc2ccccc2)no1.
What is the InChIKey of 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one?
The InChIKey is WJCLTYFNDNPPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3/c23-16-7-6-13(17-20-18-11-24-17)9-22(16)10-15-19-14(21-25-15)8-12-4-2-1-3-5-12/h1-7,9,11H,8,10H2.
What are the key properties of 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one?
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one has a molecular weight of 335.32 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one is sourced from PubChem (CID 47045867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).