3-hexyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H27N3O3S — CID 70768749

IUPAC3-hexyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCCCCN1CC2(CCN(C(=O)c3cnc(C)s3)CC2)OC1=O
InChIInChI=1S/C18H27N3O3S/c1-3-4-5-6-9-21-13-18(24-17(21)23)7-10-20(11-8-18)16(22)15-12-19-14(2)25-15/h12H,3-11,13H2,1-2H3
InChIKeyLJLIYFGDSRHIJT-UHFFFAOYSA-N
MW365.50 g/mol
LogP3.46
Rot. Bonds6

About 3-hexyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-hexyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70768749) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 3-hexyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-hexyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70768749
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name3-hexyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCCCCN1CC2(CCN(C(=O)c3cnc(C)s3)CC2)OC1=O
InChIInChI=1S/C18H27N3O3S/c1-3-4-5-6-9-21-13-18(24-17(21)23)7-10-20(11-8-18)16(22)15-12-19-14(2)25-15/h12H,3-11,13H2,1-2H3
InChIKeyLJLIYFGDSRHIJT-UHFFFAOYSA-N
XLogP3.46
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-hexyl-8-(2-methylpyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70776384
3-hexyl-8-(1-methylpyrazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70716389
3-hexyl-8-(imidazo[1,2-a]pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70753122
3-hexyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70740474
3-hexyl-8-[(2R)-2-hydroxy-2-phenylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70718560
8-[(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70713687
8-[2-(azepan-1-yl)acetyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70744928
8-[(2-ethylpyrimidin-5-yl)methyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70707070
3-hexyl-8-[(1-methylimidazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70774905
3-hexyl-8-[2-(4-hydroxypiperidin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70765516
8-(6-methylpyridine-3-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70729484
3-[2-(dimethylamino)ethyl]-8-(5-propyl-1,2-oxazole-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70715851

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-hexyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70768749) is 3-hexyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-hexyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-hexyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCCCCCN1CC2(CCN(C(=O)c3cnc(C)s3)CC2)OC1=O.
What is the InChIKey of 3-hexyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is LJLIYFGDSRHIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-3-4-5-6-9-21-13-18(24-17(21)23)7-10-20(11-8-18)16(22)15-12-19-14(2)25-15/h12H,3-11,13H2,1-2H3.
What are the key properties of 3-hexyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-hexyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 365.50 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70768749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).