5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-4-ylmethylamino)-1H-pyridin-2-one

C16H16N4O2 — CID 121379049

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-4-ylmethylamino)-1H-pyridin-2-one
SMILESCc1noc(C)c1-c1c[nH]c(=O)c(NCc2ccncc2)c1
InChIInChI=1S/C16H16N4O2/c1-10-15(11(2)22-20-10)13-7-14(16(21)19-9-13)18-8-12-3-5-17-6-4-12/h3-7,9,18H,8H2,1-2H3,(H,19,21)
InChIKeyILORECFEUCUBAY-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.65
Rot. Bonds4

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-4-ylmethylamino)-1H-pyridin-2-one

5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-4-ylmethylamino)-1H-pyridin-2-one (PubChem CID 121379049) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-4-ylmethylamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-4-ylmethylamino)-1H-pyridin-2-one
PubChem CID121379049
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-4-ylmethylamino)-1H-pyridin-2-one
SMILESCc1noc(C)c1-c1c[nH]c(=O)c(NCc2ccncc2)c1
InChIInChI=1S/C16H16N4O2/c1-10-15(11(2)22-20-10)13-7-14(16(21)19-9-13)18-8-12-3-5-17-6-4-12/h3-7,9,18H,8H2,1-2H3,(H,19,21)
InChIKeyILORECFEUCUBAY-UHFFFAOYSA-N
XLogP2.65
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-4-ylmethylamino)-1H-pyridin-2-one with MolForge

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Related Compounds

4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]benzonitrile
CID 121379040
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(1R)-1-pyridin-2-ylethyl]amino]-1H-pyridin-2-one
CID 121379046
[(Z)-1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]pent-3-en-2-ylidene]-ethenylideneazanium
CID 177247454
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[5-[(1-propan-2-yltriazol-4-yl)methoxy]-2-pyridinyl]methylamino]-1H-pyridin-2-one
CID 171638287
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(1R)-1-(1-methylpyridin-1-ium-2-yl)ethyl]amino]-1H-pyridin-2-one
CID 177247086
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-2-ylmethoxy)-1H-pyridin-2-one
CID 121379032
4-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrole-2-carboxylic acid
CID 165455449
N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methanimidoylpyridin-3-amine
CID 167223981
3-N-[(3,4-dichlorophenyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2,3-diamine
CID 121384128
2,5-dichloro-4-methyl-N-(pyridin-4-ylmethyl)aniline
CID 104726372
2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 134806025
methyl 4-(benzylamino)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-quinoline-7-carboxylate
CID 121334128

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-4-ylmethylamino)-1H-pyridin-2-one?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-4-ylmethylamino)-1H-pyridin-2-one (CID 121379049) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-4-ylmethylamino)-1H-pyridin-2-one.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-4-ylmethylamino)-1H-pyridin-2-one?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-4-ylmethylamino)-1H-pyridin-2-one is Cc1noc(C)c1-c1c[nH]c(=O)c(NCc2ccncc2)c1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-4-ylmethylamino)-1H-pyridin-2-one?
The InChIKey is ILORECFEUCUBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10-15(11(2)22-20-10)13-7-14(16(21)19-9-13)18-8-12-3-5-17-6-4-12/h3-7,9,18H,8H2,1-2H3,(H,19,21).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-4-ylmethylamino)-1H-pyridin-2-one?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-4-ylmethylamino)-1H-pyridin-2-one has a molecular weight of 296.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-4-ylmethylamino)-1H-pyridin-2-one is sourced from PubChem (CID 121379049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).