3-(3-ethoxy-1,2-oxazol-5-yl)-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]propan-1-one

C19H24N4O3S — CID 92593496

IUPAC3-(3-ethoxy-1,2-oxazol-5-yl)-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]propan-1-one
SMILESCCOc1cc(CCC(=O)N2CCC[C@H](c3nc(C)n4ccsc34)C2)on1
InChIInChI=1S/C19H24N4O3S/c1-3-25-16-11-15(26-21-16)6-7-17(24)22-8-4-5-14(12-22)18-19-23(9-10-27-19)13(2)20-18/h9-11,14H,3-8,12H2,1-2H3/t14-/m0/s1
InChIKeyJBPADNPWSLNPTI-AWEZNQCLSA-N
MW388.49 g/mol
LogP3.43
Rot. Bonds6

About 3-(3-ethoxy-1,2-oxazol-5-yl)-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]propan-1-one

3-(3-ethoxy-1,2-oxazol-5-yl)-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]propan-1-one (PubChem CID 92593496) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-(3-ethoxy-1,2-oxazol-5-yl)-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-ethoxy-1,2-oxazol-5-yl)-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]propan-1-one
PubChem CID92593496
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name3-(3-ethoxy-1,2-oxazol-5-yl)-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]propan-1-one
SMILESCCOc1cc(CCC(=O)N2CCC[C@H](c3nc(C)n4ccsc34)C2)on1
InChIInChI=1S/C19H24N4O3S/c1-3-25-16-11-15(26-21-16)6-7-17(24)22-8-4-5-14(12-22)18-19-23(9-10-27-19)13(2)20-18/h9-11,14H,3-8,12H2,1-2H3/t14-/m0/s1
InChIKeyJBPADNPWSLNPTI-AWEZNQCLSA-N
XLogP3.43
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3-ethoxy-1,2-oxazol-5-yl)-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

2-methoxy-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
CID 92564268
3-(3-ethoxy-1,2-oxazol-5-yl)-1-[3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]propan-1-one
CID 110236426
(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one
CID 92564845
2-(dimethylamino)-4-[(3S)-1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136821125
4-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 110216631
2-methoxy-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
CID 92564309
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 124942379
1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95578538
4,8-dimethyl-2-[1-[3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoyl]piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110261064
1-[(3S)-3-[5-(2-ethylanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]propan-1-one
CID 92589209
1-[3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 110239562
1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone
CID 95768087

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-1,2-oxazol-5-yl)-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3-ethoxy-1,2-oxazol-5-yl)-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]propan-1-one (CID 92593496) is 3-(3-ethoxy-1,2-oxazol-5-yl)-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-ethoxy-1,2-oxazol-5-yl)-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-ethoxy-1,2-oxazol-5-yl)-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]propan-1-one is CCOc1cc(CCC(=O)N2CCC[C@H](c3nc(C)n4ccsc34)C2)on1.
What is the InChIKey of 3-(3-ethoxy-1,2-oxazol-5-yl)-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]propan-1-one?
The InChIKey is JBPADNPWSLNPTI-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-3-25-16-11-15(26-21-16)6-7-17(24)22-8-4-5-14(12-22)18-19-23(9-10-27-19)13(2)20-18/h9-11,14H,3-8,12H2,1-2H3/t14-/m0/s1.
What are the key properties of 3-(3-ethoxy-1,2-oxazol-5-yl)-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]propan-1-one?
3-(3-ethoxy-1,2-oxazol-5-yl)-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]propan-1-one has a molecular weight of 388.49 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-1,2-oxazol-5-yl)-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 92593496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).