3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]methyl]-1H-pyridin-2-one

C14H19N3O2 — CID 146145227

IUPAC3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]methyl]-1H-pyridin-2-one
SMILESCc1noc(C)c1C(C)(C)NCc1ccc[nH]c1=O
InChIInChI=1S/C14H19N3O2/c1-9-12(10(2)19-17-9)14(3,4)16-8-11-6-5-7-15-13(11)18/h5-7,16H,8H2,1-4H3,(H,15,18)
InChIKeyAPAJRUDEEJTVJI-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.00
Rot. Bonds4

About 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]methyl]-1H-pyridin-2-one

3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]methyl]-1H-pyridin-2-one (PubChem CID 146145227) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]methyl]-1H-pyridin-2-one
PubChem CID146145227
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]methyl]-1H-pyridin-2-one
SMILESCc1noc(C)c1C(C)(C)NCc1ccc[nH]c1=O
InChIInChI=1S/C14H19N3O2/c1-9-12(10(2)19-17-9)14(3,4)16-8-11-6-5-7-15-13(11)18/h5-7,16H,8H2,1-4H3,(H,15,18)
InChIKeyAPAJRUDEEJTVJI-UHFFFAOYSA-N
XLogP2.00
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]methyl]-1H-pyridin-2-one with MolForge

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,6-dimethyl-4-pyridinyl)methyl]propan-2-amine
CID 146145226
3,5-dimethyl-N-(1H-pyrrol-2-ylmethyl)-1,2-oxazol-4-amine
CID 131209113
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 79235965
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1H-pyrazin-2-one
CID 115657215
3-[(cyclopropylamino)methyl]-1H-pyridin-2-one
CID 82527356
2-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 166247196
3-(3-methylbut-2-enyl)-1H-pyridin-2-one
CID 170905325
3,5-dimethyl-4-(3-methylpentan-3-yl)-1,2-oxazole
CID 129201550
2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 100647997
3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-pyridin-2-one
CID 59410156
3-(2-fluoroethyl)-1H-pyridin-2-one
CID 169148755
4-(1,1-difluoroethyl)-3,5-dimethyl-1,2-oxazole;ethane
CID 170592665

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]methyl]-1H-pyridin-2-one?
The IUPAC name of 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]methyl]-1H-pyridin-2-one (CID 146145227) is 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]methyl]-1H-pyridin-2-one is Cc1noc(C)c1C(C)(C)NCc1ccc[nH]c1=O.
What is the InChIKey of 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]methyl]-1H-pyridin-2-one?
The InChIKey is APAJRUDEEJTVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-12(10(2)19-17-9)14(3,4)16-8-11-6-5-7-15-13(11)18/h5-7,16H,8H2,1-4H3,(H,15,18).
What are the key properties of 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]methyl]-1H-pyridin-2-one?
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]methyl]-1H-pyridin-2-one has a molecular weight of 261.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 146145227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).