[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C16H21N3O2S — CID 70746719

IUPAC[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCCCC2c2nccs2)on1
InChIInChI=1S/C16H21N3O2S/c1-11(2)9-12-10-14(21-18-12)16(20)19-7-4-3-5-13(19)15-17-6-8-22-15/h6,8,10-11,13H,3-5,7,9H2,1-2H3
InChIKeyCZXZWUYJSRUYJV-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.70
Rot. Bonds4

About [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 70746719) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID70746719
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCCCC2c2nccs2)on1
InChIInChI=1S/C16H21N3O2S/c1-11(2)9-12-10-14(21-18-12)16(20)19-7-4-3-5-13(19)15-17-6-8-22-15/h6,8,10-11,13H,3-5,7,9H2,1-2H3
InChIKeyCZXZWUYJSRUYJV-UHFFFAOYSA-N
XLogP3.70
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95776588
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]methanone
CID 125026661
(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95774325
[(2S)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 97141342
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768613
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70710458
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
methyl 1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxylate
CID 50963151
[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95201172
N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-yl]acetamide
CID 95770213
2-(1-propan-2-ylpiperidin-4-yl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 97200306
2-ethyl-6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 95770116

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 70746719) is [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is CC(C)Cc1cc(C(=O)N2CCCCC2c2nccs2)on1.
What is the InChIKey of [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is CZXZWUYJSRUYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11(2)9-12-10-14(21-18-12)16(20)19-7-4-3-5-13(19)15-17-6-8-22-15/h6,8,10-11,13H,3-5,7,9H2,1-2H3.
What are the key properties of [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 319.43 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 70746719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).