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

C15H17N5O2 — CID 154780658

IUPAC1-methyl-4-[5-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
SMILESCC(C)n1ccc(Cc2nc(-c3ccn(C)c(=O)c3)no2)n1
InChIInChI=1S/C15H17N5O2/c1-10(2)20-7-5-12(17-20)9-13-16-15(18-22-13)11-4-6-19(3)14(21)8-11/h4-8,10H,9H2,1-3H3
InChIKeySENCLSAEOWMGLM-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.80
Rot. Bonds4

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

1-methyl-4-[5-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one (PubChem CID 154780658) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-methyl-4-[5-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[5-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
PubChem CID154780658
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name1-methyl-4-[5-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
SMILESCC(C)n1ccc(Cc2nc(-c3ccn(C)c(=O)c3)no2)n1
InChIInChI=1S/C15H17N5O2/c1-10(2)20-7-5-12(17-20)9-13-16-15(18-22-13)11-4-6-19(3)14(21)8-11/h4-8,10H,9H2,1-3H3
InChIKeySENCLSAEOWMGLM-UHFFFAOYSA-N
XLogP1.80
TPSA78.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-[[2,2-dimethylpropyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one
CID 139019206
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CID 71924986
1-methyl-4-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one
CID 104879927
4-[2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetyl]-1-methylpyridin-2-one
CID 155296604
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
CID 64771268
1-methyl-5-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 53156542
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one
CID 146309641
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridin-2-one
CID 156525472
7-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-propan-2-yl-1H-quinoxaline-2,3-dione
CID 53005960
[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117330229
3-(6-methoxy-3-pyridinyl)-5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 71978818
2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-6-(4-methylphenyl)pyridazin-3-one
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[5-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one (CID 154780658) is 1-methyl-4-[5-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[5-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[5-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one is CC(C)n1ccc(Cc2nc(-c3ccn(C)c(=O)c3)no2)n1.
What is the InChIKey of 1-methyl-4-[5-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The InChIKey is SENCLSAEOWMGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-10(2)20-7-5-12(17-20)9-13-16-15(18-22-13)11-4-6-19(3)14(21)8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of 1-methyl-4-[5-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one?
1-methyl-4-[5-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one has a molecular weight of 299.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one is sourced from PubChem (CID 154780658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).