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

C13H10N4O2 — CID 53156543

IUPAC1-methyl-5-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one
SMILESCn1cc(-c2noc(-c3ccncc3)n2)ccc1=O
InChIInChI=1S/C13H10N4O2/c1-17-8-10(2-3-11(17)18)12-15-13(19-16-12)9-4-6-14-7-5-9/h2-8H,1H3
InChIKeyPWOZWIGEFVKZGP-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.50
Rot. Bonds2

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

1-methyl-5-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one (PubChem CID 53156543) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-methyl-5-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one
PubChem CID53156543
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name1-methyl-5-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one
SMILESCn1cc(-c2noc(-c3ccncc3)n2)ccc1=O
InChIInChI=1S/C13H10N4O2/c1-17-8-10(2-3-11(17)18)12-15-13(19-16-12)9-4-6-14-7-5-9/h2-8H,1H3
InChIKeyPWOZWIGEFVKZGP-UHFFFAOYSA-N
XLogP1.50
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one
CID 83274036
5-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one
CID 83274624
5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 750618
1-methyl-5-(3-pyridin-4-ylphenyl)pyridin-2-one
CID 166320526
3-(4-methylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527949
1-methyl-5-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 53156542
5-[5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one
CID 126816132
1-methyl-5-[5-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 97416378
ethane;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 143910207
4-methyl-N-[(1S)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 97416381
4-methyl-N-[(1R)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 97416382
3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 2237693

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one?
The IUPAC name of 1-methyl-5-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one (CID 53156543) is 1-methyl-5-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one.
What is the SMILES notation for 1-methyl-5-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one?
The canonical SMILES for 1-methyl-5-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one is Cn1cc(-c2noc(-c3ccncc3)n2)ccc1=O.
What is the InChIKey of 1-methyl-5-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one?
The InChIKey is PWOZWIGEFVKZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c1-17-8-10(2-3-11(17)18)12-15-13(19-16-12)9-4-6-14-7-5-9/h2-8H,1H3.
What are the key properties of 1-methyl-5-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one?
1-methyl-5-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one has a molecular weight of 254.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one is sourced from PubChem (CID 53156543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).