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

C16H21N3O2S — CID 95776588

IUPAC[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCC[C@H](C)c1cc(C(=O)N2CCCC[C@H]2c2nccs2)on1
InChIInChI=1S/C16H21N3O2S/c1-3-11(2)12-10-14(21-18-12)16(20)19-8-5-4-6-13(19)15-17-7-9-22-15/h7,9-11,13H,3-6,8H2,1-2H3/t11-,13-/m0/s1
InChIKeyOGEYYAWOJTXNLI-AAEUAGOBSA-N
MW319.43 g/mol
LogP4.01
Rot. Bonds4

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

[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 95776588) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID95776588
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCC[C@H](C)c1cc(C(=O)N2CCCC[C@H]2c2nccs2)on1
InChIInChI=1S/C16H21N3O2S/c1-3-11(2)12-10-14(21-18-12)16(20)19-8-5-4-6-13(19)15-17-7-9-22-15/h7,9-11,13H,3-6,8H2,1-2H3/t11-,13-/m0/s1
InChIKeyOGEYYAWOJTXNLI-AAEUAGOBSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 70746719
(3-butan-2-yl-1,2-oxazol-5-yl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 119041972
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768613
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone
CID 124683417
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone
CID 124683414
(3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124992269
(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
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
[2-(aminomethyl)piperidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone
CID 119466515
(3R)-3-phenyl-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 95770134
[3-[4-(ethylamino)pyrimidin-2-yl]phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 169411424
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124574903

Frequently Asked Questions

What is the IUPAC name of [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 95776588) is [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is CC[C@H](C)c1cc(C(=O)N2CCCC[C@H]2c2nccs2)on1.
What is the InChIKey of [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is OGEYYAWOJTXNLI-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-3-11(2)12-10-14(21-18-12)16(20)19-8-5-4-6-13(19)15-17-7-9-22-15/h7,9-11,13H,3-6,8H2,1-2H3/t11-,13-/m0/s1.
What are the key properties of [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 319.43 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95776588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).