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4-benzyl-8-(1,3-oxazole-4-carbonyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one

C18H19N3O5S — CID 155881107

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-benzyl-8-(1,3-oxazole-4-carbonyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C(c1cocn1)N1CCC2(CC1)N(Cc1ccccc1)C(=O)CS2(=O)=O
InChIInChI=1S/C18H19N3O5S/c22-16-12-27(24,25)18(21(16)10-14-4-2-1-3-5-14)6-8-20(9-7-18)17(23)15-11-26-13-19-15/h1-5,11,13H,6-10,12H2
InChIKeyCWJDRHKQMGJVPA-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.06
Rot. Bonds3

About 4-benzyl-8-(1,3-oxazole-4-carbonyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one

4-benzyl-8-(1,3-oxazole-4-carbonyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 155881107) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is 4-benzyl-8-(1,3-oxazole-4-carbonyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-benzyl-8-(1,3-oxazole-4-carbonyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID155881107
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name4-benzyl-8-(1,3-oxazole-4-carbonyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C(c1cocn1)N1CCC2(CC1)N(Cc1ccccc1)C(=O)CS2(=O)=O
InChIInChI=1S/C18H19N3O5S/c22-16-12-27(24,25)18(21(16)10-14-4-2-1-3-5-14)6-8-20(9-7-18)17(23)15-11-26-13-19-15/h1-5,11,13H,6-10,12H2
InChIKeyCWJDRHKQMGJVPA-UHFFFAOYSA-N
XLogP1.06
TPSA100.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-8-(1,3-oxazole-4-carbonyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-benzyl-8-(1,3-oxazole-4-carbonyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one (CID 155881107) is 4-benzyl-8-(1,3-oxazole-4-carbonyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-benzyl-8-(1,3-oxazole-4-carbonyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-benzyl-8-(1,3-oxazole-4-carbonyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one is O=C(c1cocn1)N1CCC2(CC1)N(Cc1ccccc1)C(=O)CS2(=O)=O.
What is the InChIKey of 4-benzyl-8-(1,3-oxazole-4-carbonyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is CWJDRHKQMGJVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c22-16-12-27(24,25)18(21(16)10-14-4-2-1-3-5-14)6-8-20(9-7-18)17(23)15-11-26-13-19-15/h1-5,11,13H,6-10,12H2.
What are the key properties of 4-benzyl-8-(1,3-oxazole-4-carbonyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
4-benzyl-8-(1,3-oxazole-4-carbonyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 389.43 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-8-(1,3-oxazole-4-carbonyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 155881107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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