5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylpyridin-2-one;2-methylpropane

C16H24N2O2 — CID 167539274

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylpyridin-2-one;2-methylpropane
SMILESCC(C)C.CCn1cc(-c2c(C)noc2C)ccc1=O
InChIInChI=1S/C12H14N2O2.C4H10/c1-4-14-7-10(5-6-11(14)15)12-8(2)13-16-9(12)3;1-4(2)3/h5-7H,4H2,1-3H3;4H,1-3H3
InChIKeyAYPBTWNDEFAKKW-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.80
Rot. Bonds2

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylpyridin-2-one;2-methylpropane

5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylpyridin-2-one;2-methylpropane (PubChem CID 167539274) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylpyridin-2-one;2-methylpropane.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylpyridin-2-one;2-methylpropane
PubChem CID167539274
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylpyridin-2-one;2-methylpropane
SMILESCC(C)C.CCn1cc(-c2c(C)noc2C)ccc1=O
InChIInChI=1S/C12H14N2O2.C4H10/c1-4-14-7-10(5-6-11(14)15)12-8(2)13-16-9(12)3;1-4(2)3/h5-7H,4H2,1-3H3;4H,1-3H3
InChIKeyAYPBTWNDEFAKKW-UHFFFAOYSA-N
XLogP3.80
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride
CID 90235203
4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]benzamide
CID 76684731
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(quinoxalin-6-ylmethyl)pyridin-2-one
CID 76684733
1-[(2Z,4Z)-2-aminohepta-2,4,6-trienyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one
CID 177247292
1-[1-(4-chlorophenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one
CID 90234026
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one
CID 90234491
3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole
CID 58670338
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[3-[3-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)propoxy]phenyl]methyl]pyridin-2-one
CID 171638947
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
1-ethyl-5-(6-methyl-3-pyridinyl)pyridin-2-one
CID 143942659
3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylbenzimidazol-2-one
CID 121375958
1-benzyl-3-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one
CID 90234436

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylpyridin-2-one;2-methylpropane?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylpyridin-2-one;2-methylpropane (CID 167539274) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylpyridin-2-one;2-methylpropane.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylpyridin-2-one;2-methylpropane?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylpyridin-2-one;2-methylpropane is CC(C)C.CCn1cc(-c2c(C)noc2C)ccc1=O.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylpyridin-2-one;2-methylpropane?
The InChIKey is AYPBTWNDEFAKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2.C4H10/c1-4-14-7-10(5-6-11(14)15)12-8(2)13-16-9(12)3;1-4(2)3/h5-7H,4H2,1-3H3;4H,1-3H3.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylpyridin-2-one;2-methylpropane?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylpyridin-2-one;2-methylpropane has a molecular weight of 276.38 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylpyridin-2-one;2-methylpropane is sourced from PubChem (CID 167539274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).