2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one

C17H21N3O3 — CID 110245983

IUPAC2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)cc(C2CCN(C(=O)c3c(C)noc3C)CC2)[nH]1
InChIInChI=1S/C17H21N3O3/c1-10-8-14(21)9-15(18-10)13-4-6-20(7-5-13)17(22)16-11(2)19-23-12(16)3/h8-9,13H,4-7H2,1-3H3,(H,18,21)
InChIKeyGJRJBDXXTYEPGN-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.31
Rot. Bonds2

About 2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one

2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one (PubChem CID 110245983) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one
PubChem CID110245983
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)cc(C2CCN(C(=O)c3c(C)noc3C)CC2)[nH]1
InChIInChI=1S/C17H21N3O3/c1-10-8-14(21)9-15(18-10)13-4-6-20(7-5-13)17(22)16-11(2)19-23-12(16)3/h8-9,13H,4-7H2,1-3H3,(H,18,21)
InChIKeyGJRJBDXXTYEPGN-UHFFFAOYSA-N
XLogP2.31
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 110104637
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonitrile
CID 49063486
(7-tert-butyl-1,4-oxazepan-4-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 138009760
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 91786172
N-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446266
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500616
3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]propanoic acid
CID 62215789
[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 71891242
[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 124967024
5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 91628921
4-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628699
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110270937

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one?
The IUPAC name of 2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one (CID 110245983) is 2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one is Cc1cc(=O)cc(C2CCN(C(=O)c3c(C)noc3C)CC2)[nH]1.
What is the InChIKey of 2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one?
The InChIKey is GJRJBDXXTYEPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-10-8-14(21)9-15(18-10)13-4-6-20(7-5-13)17(22)16-11(2)19-23-12(16)3/h8-9,13H,4-7H2,1-3H3,(H,18,21).
What are the key properties of 2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one?
2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one has a molecular weight of 315.37 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one is sourced from PubChem (CID 110245983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).