3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one

C14H18N4O2S — CID 71926183

IUPAC3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCc1cc(CSC2CCCN(c3cnn(C)c3)C2=O)no1
InChIInChI=1S/C14H18N4O2S/c1-10-6-11(16-20-10)9-21-13-4-3-5-18(14(13)19)12-7-15-17(2)8-12/h6-8,13H,3-5,9H2,1-2H3
InChIKeyQOJZYLDWHCKENQ-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.15
Rot. Bonds4

About 3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one

3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one (PubChem CID 71926183) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
PubChem CID71926183
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCc1cc(CSC2CCCN(c3cnn(C)c3)C2=O)no1
InChIInChI=1S/C14H18N4O2S/c1-10-6-11(16-20-10)9-21-13-4-3-5-18(14(13)19)12-7-15-17(2)8-12/h6-8,13H,3-5,9H2,1-2H3
InChIKeyQOJZYLDWHCKENQ-UHFFFAOYSA-N
XLogP2.15
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 96517929
3-(1-cyclopropyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 75373522
(3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 95898562
4-[(1S)-1-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopiperidin-3-yl]sulfanylethyl]benzonitrile
CID 96517932
3-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 71999633
(3R)-1-(1-methylpyrazol-4-yl)-3-phthalazin-1-ylsulfanylpiperidin-2-one
CID 99784031
(3R)-3-[[(1S,2R)-2-ethylsulfanylcyclohexyl]amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 99828112
3-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 167772204
1-(1-methylpyrazol-4-yl)-3-(2-pyrazol-1-ylethylamino)piperidin-2-one
CID 127354102
(3R)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 124555163
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 111543883
3-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 86769476

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one (CID 71926183) is 3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one.
What is the SMILES notation for 3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The canonical SMILES for 3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one is Cc1cc(CSC2CCCN(c3cnn(C)c3)C2=O)no1.
What is the InChIKey of 3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The InChIKey is QOJZYLDWHCKENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-10-6-11(16-20-10)9-21-13-4-3-5-18(14(13)19)12-7-15-17(2)8-12/h6-8,13H,3-5,9H2,1-2H3.
What are the key properties of 3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one has a molecular weight of 306.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one is sourced from PubChem (CID 71926183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).