N-(4-acetyl-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)-1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide

C18H25N3O5S — CID 166272137

IUPACN-(4-acetyl-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)-1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide
SMILESCC(=O)N1CCOC2(CCS(=O)(=NC(=O)C3(c4cc(C)no4)CC3)CC2)C1
InChIInChI=1S/C18H25N3O5S/c1-13-11-15(26-19-13)18(3-4-18)16(23)20-27(24)9-5-17(6-10-27)12-21(14(2)22)7-8-25-17/h11H,3-10,12H2,1-2H3
InChIKeyKKFGSOZMDPPLNY-UHFFFAOYSA-N
MW395.48 g/mol
LogP1.42
Rot. Bonds2

About N-(4-acetyl-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)-1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide

N-(4-acetyl-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)-1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 166272137) has the molecular formula C18H25N3O5S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(4-acetyl-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)-1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)-1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide
PubChem CID166272137
Molecular FormulaC18H25N3O5S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC NameN-(4-acetyl-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)-1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide
SMILESCC(=O)N1CCOC2(CCS(=O)(=NC(=O)C3(c4cc(C)no4)CC3)CC2)C1
InChIInChI=1S/C18H25N3O5S/c1-13-11-15(26-19-13)18(3-4-18)16(23)20-27(24)9-5-17(6-10-27)12-21(14(2)22)7-8-25-17/h11H,3-10,12H2,1-2H3
InChIKeyKKFGSOZMDPPLNY-UHFFFAOYSA-N
XLogP1.42
TPSA102.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2S)-2-hydroxypropanoyl]-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]-2-(3-methylimidazol-4-yl)acetamide
CID 166285666
N-[4-(5-cyano-1-methylpyrrole-2-carbonyl)-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]acetamide
CID 167746828
N-[4-[3-(1-methylpyrazol-4-yl)butanoyl]-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]acetamide
CID 167805812
[1-[(2-fluorophenyl)methyl]cyclopropyl]-(9-methylimino-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-4-yl)methanone
CID 146114652
N-[9-oxo-4-(2-thiophen-3-ylpropanoyl)-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]propanamide
CID 166285542
N-[4-(2-ethenylpyrazole-3-carbonyl)-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]butanamide
CID 166285609
N-[4-(2-aminopyrazolo[1,5-a]pyrimidin-5-yl)-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]acetamide
CID 166285514
(9-oxo-9-phenylimino-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-4-yl)-(1,3-thiazol-5-yl)methanone
CID 146114622
N-[4-(2-fluorocyclopropanecarbonyl)-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]-2-(1,2,4-triazol-1-yl)acetamide
CID 167949604
[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-(9-methylimino-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-4-yl)methanone
CID 146114651
N-(9-oxo-4-pyrimidin-2-yl-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)thiadiazole-5-carboxamide
CID 166285472
(9-imino-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-4-yl)-isoquinolin-7-ylmethanone
CID 146114578

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)-1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-acetyl-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)-1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide (CID 166272137) is N-(4-acetyl-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)-1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-acetyl-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)-1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-acetyl-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)-1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide is CC(=O)N1CCOC2(CCS(=O)(=NC(=O)C3(c4cc(C)no4)CC3)CC2)C1.
What is the InChIKey of N-(4-acetyl-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)-1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is KKFGSOZMDPPLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5S/c1-13-11-15(26-19-13)18(3-4-18)16(23)20-27(24)9-5-17(6-10-27)12-21(14(2)22)7-8-25-17/h11H,3-10,12H2,1-2H3.
What are the key properties of N-(4-acetyl-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)-1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide?
N-(4-acetyl-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)-1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)-1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 166272137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).