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

C17H25N3O3S — CID 134077920

IUPACoxolan-3-yl-[11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone
SMILESO=C(C1CCOC1)N1CCC2(CC1)COCCN(c1nccs1)C2
InChIInChI=1S/C17H25N3O3S/c21-15(14-1-8-22-11-14)19-5-2-17(3-6-19)12-20(7-9-23-13-17)16-18-4-10-24-16/h4,10,14H,1-3,5-9,11-13H2
InChIKeyBXBNADRTJZRGJB-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.62
Rot. Bonds2

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

oxolan-3-yl-[11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone (PubChem CID 134077920) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is oxolan-3-yl-[11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone.

Molecular Properties

Compound Nameoxolan-3-yl-[11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone
PubChem CID134077920
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Nameoxolan-3-yl-[11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone
SMILESO=C(C1CCOC1)N1CCC2(CC1)COCCN(c1nccs1)C2
InChIInChI=1S/C17H25N3O3S/c21-15(14-1-8-22-11-14)19-5-2-17(3-6-19)12-20(7-9-23-13-17)16-18-4-10-24-16/h4,10,14H,1-3,5-9,11-13H2
InChIKeyBXBNADRTJZRGJB-UHFFFAOYSA-N
XLogP1.62
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide
CID 75373719
(1-Fluorocyclopropyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 131683876
(1-Fluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 131684110
(3,3-Difluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 131684215
(1-Fluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone
CID 131685187
(3-Aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 64893723
2-(3-Methoxypropyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-3-one
CID 72921100
(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
1-[3-(1,3-Thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]ethanone
CID 97399522
2-Hydroxy-1-[11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]ethanone
CID 97399531
3-(2-Pyrrolidin-1-ylethyl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 97412822

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-[11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone?
The IUPAC name of oxolan-3-yl-[11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone (CID 134077920) is oxolan-3-yl-[11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone.
What is the SMILES notation for oxolan-3-yl-[11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone?
The canonical SMILES for oxolan-3-yl-[11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone is O=C(C1CCOC1)N1CCC2(CC1)COCCN(c1nccs1)C2.
What is the InChIKey of oxolan-3-yl-[11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone?
The InChIKey is BXBNADRTJZRGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c21-15(14-1-8-22-11-14)19-5-2-17(3-6-19)12-20(7-9-23-13-17)16-18-4-10-24-16/h4,10,14H,1-3,5-9,11-13H2.
What are the key properties of oxolan-3-yl-[11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone?
oxolan-3-yl-[11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone has a molecular weight of 351.47 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-[11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone is sourced from PubChem (CID 134077920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).