oxolan-3-yl-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone

C16H23N3O4S — CID 134072948

IUPACoxolan-3-yl-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
SMILESO=C(C1CCOC1)N1CCOC2(COCCN(c3nccs3)C2)C1
InChIInChI=1S/C16H23N3O4S/c20-14(13-1-5-21-9-13)18-4-7-23-16(10-18)11-19(3-6-22-12-16)15-17-2-8-24-15/h2,8,13H,1,3-7,9-12H2
InChIKeyJZUVSDNVBSITNL-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.61
Rot. Bonds2

About oxolan-3-yl-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone

oxolan-3-yl-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone (PubChem CID 134072948) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is oxolan-3-yl-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone.

Molecular Properties

Compound Nameoxolan-3-yl-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
PubChem CID134072948
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Nameoxolan-3-yl-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
SMILESO=C(C1CCOC1)N1CCOC2(COCCN(c3nccs3)C2)C1
InChIInChI=1S/C16H23N3O4S/c20-14(13-1-5-21-9-13)18-4-7-23-16(10-18)11-19(3-6-22-12-16)15-17-2-8-24-15/h2,8,13H,1,3-7,9-12H2
InChIKeyJZUVSDNVBSITNL-UHFFFAOYSA-N
XLogP0.61
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide
CID 75373719
(1-Fluorocyclobutyl)-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 131685075
(4-Aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 66240592
(3R)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide
CID 97217248
(3R)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide
CID 97217249
(3S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide
CID 98847815
(3S)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide
CID 98847817
[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 131684961
2-Methoxy-1-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone
CID 134072947
Oxolan-3-yl-[11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone
CID 134077920
4-(Oxolane-3-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one
CID 134160473
1-(Tetrahydrofuran-3-ylcarbonyl)-4-(1,3-thiazol-2-yl)-1,4-diazepane
CID 138381842

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
The IUPAC name of oxolan-3-yl-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone (CID 134072948) is oxolan-3-yl-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone.
What is the SMILES notation for oxolan-3-yl-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
The canonical SMILES for oxolan-3-yl-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone is O=C(C1CCOC1)N1CCOC2(COCCN(c3nccs3)C2)C1.
What is the InChIKey of oxolan-3-yl-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
The InChIKey is JZUVSDNVBSITNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c20-14(13-1-5-21-9-13)18-4-7-23-16(10-18)11-19(3-6-22-12-16)15-17-2-8-24-15/h2,8,13H,1,3-7,9-12H2.
What are the key properties of oxolan-3-yl-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
oxolan-3-yl-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone has a molecular weight of 353.44 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone is sourced from PubChem (CID 134072948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).