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

C17H13N5O2 — CID 167838278

IUPAC5-(1,3,4-oxadiazol-2-yl)-1-[(1-phenylpyrazol-4-yl)methyl]pyridin-2-one
SMILESO=c1ccc(-c2nnco2)cn1Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H13N5O2/c23-16-7-6-14(17-20-18-12-24-17)11-21(16)9-13-8-19-22(10-13)15-4-2-1-3-5-15/h1-8,10-12H,9H2
InChIKeyJVZUVCICUHKSLD-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.13
Rot. Bonds4

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

5-(1,3,4-oxadiazol-2-yl)-1-[(1-phenylpyrazol-4-yl)methyl]pyridin-2-one (PubChem CID 167838278) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 5-(1,3,4-oxadiazol-2-yl)-1-[(1-phenylpyrazol-4-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-(1,3,4-oxadiazol-2-yl)-1-[(1-phenylpyrazol-4-yl)methyl]pyridin-2-one
PubChem CID167838278
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name5-(1,3,4-oxadiazol-2-yl)-1-[(1-phenylpyrazol-4-yl)methyl]pyridin-2-one
SMILESO=c1ccc(-c2nnco2)cn1Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H13N5O2/c23-16-7-6-14(17-20-18-12-24-17)11-21(16)9-13-8-19-22(10-13)15-4-2-1-3-5-15/h1-8,10-12H,9H2
InChIKeyJVZUVCICUHKSLD-UHFFFAOYSA-N
XLogP2.13
TPSA78.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2-fluorophenyl)methyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one
CID 47045849
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one
CID 47045867
3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one
CID 115696938
1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one
CID 53498269
1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one
CID 47058481
3-nitro-1-[(1-phenylpyrazol-4-yl)methyl]pyridin-2-one
CID 100669210
4-ethyl-3-(1-phenylpyrazol-4-yl)-1,2,4-triazole
CID 113301248
1-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxylic acid
CID 43565278
4-(2-chloroethyl)-1-phenylpyrazole
CID 64867718
1-phenyl-4-propylpyrazole
CID 12902534
2-(1-phenylpyrazol-4-yl)ethanethiol
CID 134448199
1-benzyl-5-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one
CID 2766583

Frequently Asked Questions

What is the IUPAC name of 5-(1,3,4-oxadiazol-2-yl)-1-[(1-phenylpyrazol-4-yl)methyl]pyridin-2-one?
The IUPAC name of 5-(1,3,4-oxadiazol-2-yl)-1-[(1-phenylpyrazol-4-yl)methyl]pyridin-2-one (CID 167838278) is 5-(1,3,4-oxadiazol-2-yl)-1-[(1-phenylpyrazol-4-yl)methyl]pyridin-2-one.
What is the SMILES notation for 5-(1,3,4-oxadiazol-2-yl)-1-[(1-phenylpyrazol-4-yl)methyl]pyridin-2-one?
The canonical SMILES for 5-(1,3,4-oxadiazol-2-yl)-1-[(1-phenylpyrazol-4-yl)methyl]pyridin-2-one is O=c1ccc(-c2nnco2)cn1Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of 5-(1,3,4-oxadiazol-2-yl)-1-[(1-phenylpyrazol-4-yl)methyl]pyridin-2-one?
The InChIKey is JVZUVCICUHKSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c23-16-7-6-14(17-20-18-12-24-17)11-21(16)9-13-8-19-22(10-13)15-4-2-1-3-5-15/h1-8,10-12H,9H2.
What are the key properties of 5-(1,3,4-oxadiazol-2-yl)-1-[(1-phenylpyrazol-4-yl)methyl]pyridin-2-one?
5-(1,3,4-oxadiazol-2-yl)-1-[(1-phenylpyrazol-4-yl)methyl]pyridin-2-one has a molecular weight of 319.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3,4-oxadiazol-2-yl)-1-[(1-phenylpyrazol-4-yl)methyl]pyridin-2-one is sourced from PubChem (CID 167838278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).