(4R)-4-(4-phenyl-1,3-thiazol-2-yl)-1-oxaspiro[4.5]decan-2-one

C18H19NO2S — CID 679952

IUPAC(4R)-4-(4-phenyl-1,3-thiazol-2-yl)-1-oxaspiro[4.5]decan-2-one
SMILESO=C1C[C@@H](c2nc(-c3ccccc3)cs2)C2(CCCCC2)O1
InChIInChI=1S/C18H19NO2S/c20-16-11-14(18(21-16)9-5-2-6-10-18)17-19-15(12-22-17)13-7-3-1-4-8-13/h1,3-4,7-8,12,14H,2,5-6,9-11H2/t14-/m0/s1
InChIKeyFHESPGDKCTZMRK-AWEZNQCLSA-N
MW313.42 g/mol
LogP4.54
Rot. Bonds2

About (4R)-4-(4-phenyl-1,3-thiazol-2-yl)-1-oxaspiro[4.5]decan-2-one

(4R)-4-(4-phenyl-1,3-thiazol-2-yl)-1-oxaspiro[4.5]decan-2-one (PubChem CID 679952) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is (4R)-4-(4-phenyl-1,3-thiazol-2-yl)-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(4R)-4-(4-phenyl-1,3-thiazol-2-yl)-1-oxaspiro[4.5]decan-2-one
PubChem CID679952
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name(4R)-4-(4-phenyl-1,3-thiazol-2-yl)-1-oxaspiro[4.5]decan-2-one
SMILESO=C1C[C@@H](c2nc(-c3ccccc3)cs2)C2(CCCCC2)O1
InChIInChI=1S/C18H19NO2S/c20-16-11-14(18(21-16)9-5-2-6-10-18)17-19-15(12-22-17)13-7-3-1-4-8-13/h1,3-4,7-8,12,14H,2,5-6,9-11H2/t14-/m0/s1
InChIKeyFHESPGDKCTZMRK-AWEZNQCLSA-N
XLogP4.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-phenyl-1,3-thiazol-2-yl)-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of (4R)-4-(4-phenyl-1,3-thiazol-2-yl)-1-oxaspiro[4.5]decan-2-one (CID 679952) is (4R)-4-(4-phenyl-1,3-thiazol-2-yl)-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for (4R)-4-(4-phenyl-1,3-thiazol-2-yl)-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for (4R)-4-(4-phenyl-1,3-thiazol-2-yl)-1-oxaspiro[4.5]decan-2-one is O=C1C[C@@H](c2nc(-c3ccccc3)cs2)C2(CCCCC2)O1.
What is the InChIKey of (4R)-4-(4-phenyl-1,3-thiazol-2-yl)-1-oxaspiro[4.5]decan-2-one?
The InChIKey is FHESPGDKCTZMRK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19NO2S/c20-16-11-14(18(21-16)9-5-2-6-10-18)17-19-15(12-22-17)13-7-3-1-4-8-13/h1,3-4,7-8,12,14H,2,5-6,9-11H2/t14-/m0/s1.
What are the key properties of (4R)-4-(4-phenyl-1,3-thiazol-2-yl)-1-oxaspiro[4.5]decan-2-one?
(4R)-4-(4-phenyl-1,3-thiazol-2-yl)-1-oxaspiro[4.5]decan-2-one has a molecular weight of 313.42 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-phenyl-1,3-thiazol-2-yl)-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 679952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).