[(2S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone

C17H25N3O3S — CID 97423338

IUPAC[(2S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESCc1nc(CN2CCC3(CC[C@@H](C(=O)N4CCCO4)O3)CC2)cs1
InChIInChI=1S/C17H25N3O3S/c1-13-18-14(12-24-13)11-19-8-5-17(6-9-19)4-3-15(23-17)16(21)20-7-2-10-22-20/h12,15H,2-11H2,1H3/t15-/m0/s1
InChIKeyCLKQRYVBOHIFKB-HNNXBMFYSA-N
MW351.47 g/mol
LogP2.13
Rot. Bonds3

About [(2S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone

[(2S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 97423338) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is [(2S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID97423338
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name[(2S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESCc1nc(CN2CCC3(CC[C@@H](C(=O)N4CCCO4)O3)CC2)cs1
InChIInChI=1S/C17H25N3O3S/c1-13-18-14(12-24-13)11-19-8-5-17(6-9-19)4-3-15(23-17)16(21)20-7-2-10-22-20/h12,15H,2-11H2,1H3/t15-/m0/s1
InChIKeyCLKQRYVBOHIFKB-HNNXBMFYSA-N
XLogP2.13
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,2-oxazolidin-2-yl-[(2S)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone
CID 97482603
cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 110714326
7-bicyclo[4.1.0]heptanyl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 46972591
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
CID 131689189
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
2-(1-hydroxycyclohexyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 111331762
2-(2-methyl-1,3-thiazol-4-yl)-N-[[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 42405573
2-[(7S)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone
CID 124804492
pyrrolidin-1-yl-[(2R)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone
CID 97383852
(5S)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 124804274
2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 55119291

Frequently Asked Questions

What is the IUPAC name of [(2S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of [(2S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone (CID 97423338) is [(2S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for [(2S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for [(2S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone is Cc1nc(CN2CCC3(CC[C@@H](C(=O)N4CCCO4)O3)CC2)cs1.
What is the InChIKey of [(2S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is CLKQRYVBOHIFKB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-13-18-14(12-24-13)11-19-8-5-17(6-9-19)4-3-15(23-17)16(21)20-7-2-10-22-20/h12,15H,2-11H2,1H3/t15-/m0/s1.
What are the key properties of [(2S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone?
[(2S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 351.47 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 97423338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).