(4S)-3-[(4S,5S)-2-oxo-1,10-dioxaspiro[4.5]decan-4-yl]-4-phenyl-1,3-oxazolidin-2-one

C17H19NO5 — CID 10710572

IUPAC(4S)-3-[(4S,5S)-2-oxo-1,10-dioxaspiro[4.5]decan-4-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1C[C@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@]2(CCCCO2)O1
InChIInChI=1S/C17H19NO5/c19-15-10-14(17(23-15)8-4-5-9-22-17)18-13(11-21-16(18)20)12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2/t13-,14+,17+/m1/s1
InChIKeyWIQYLUCRPBROQS-KEYYUXOJSA-N
MW317.34 g/mol
LogP2.39
Rot. Bonds2

About (4S)-3-[(4S,5S)-2-oxo-1,10-dioxaspiro[4.5]decan-4-yl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(4S,5S)-2-oxo-1,10-dioxaspiro[4.5]decan-4-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 10710572) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is (4S)-3-[(4S,5S)-2-oxo-1,10-dioxaspiro[4.5]decan-4-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(4S,5S)-2-oxo-1,10-dioxaspiro[4.5]decan-4-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID10710572
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name(4S)-3-[(4S,5S)-2-oxo-1,10-dioxaspiro[4.5]decan-4-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1C[C@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@]2(CCCCO2)O1
InChIInChI=1S/C17H19NO5/c19-15-10-14(17(23-15)8-4-5-9-22-17)18-13(11-21-16(18)20)12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2/t13-,14+,17+/m1/s1
InChIKeyWIQYLUCRPBROQS-KEYYUXOJSA-N
XLogP2.39
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

(4S)-3-[(2R,3S)-2-ethoxy-5-oxo-2-(phenylmethoxymethyl)oxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 396645
dimethyl (1S,2R,3S)-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohex-4-ene-1,2-dicarboxylate
CID 134980540
dimethyl (1S,2R,3R)-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohex-4-ene-1,2-dicarboxylate
CID 134980541
Methyl 2-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]acetate
CID 58891727
3-[3-(Oxan-4-yl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 138546961
Ethane;methyl 2-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]acetate
CID 143005237
Ethane;methyl 2-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]acetate
CID 143008202
tert-butyl (4S)-4-[4-(4-ethoxycarbonyloxan-4-yl)phenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 177063912
3-[2-Ethoxy-5-oxo-2-(phenylmethoxymethyl)oxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 4596631
(4S)-3-[(2S,3S)-2-methyl-5-oxo-2-phenylmethoxyoxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 9999036
(4S)-3-[(2S,3S)-2-butyl-2-ethoxy-5-oxooxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 10089042
(4S)-3-[(2S,3S)-2-butyl-2-methoxy-5-oxooxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 10382161

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(4S,5S)-2-oxo-1,10-dioxaspiro[4.5]decan-4-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(4S,5S)-2-oxo-1,10-dioxaspiro[4.5]decan-4-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 10710572) is (4S)-3-[(4S,5S)-2-oxo-1,10-dioxaspiro[4.5]decan-4-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(4S,5S)-2-oxo-1,10-dioxaspiro[4.5]decan-4-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(4S,5S)-2-oxo-1,10-dioxaspiro[4.5]decan-4-yl]-4-phenyl-1,3-oxazolidin-2-one is O=C1C[C@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@]2(CCCCO2)O1.
What is the InChIKey of (4S)-3-[(4S,5S)-2-oxo-1,10-dioxaspiro[4.5]decan-4-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is WIQYLUCRPBROQS-KEYYUXOJSA-N. The full InChI is InChI=1S/C17H19NO5/c19-15-10-14(17(23-15)8-4-5-9-22-17)18-13(11-21-16(18)20)12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2/t13-,14+,17+/m1/s1.
What are the key properties of (4S)-3-[(4S,5S)-2-oxo-1,10-dioxaspiro[4.5]decan-4-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(4S,5S)-2-oxo-1,10-dioxaspiro[4.5]decan-4-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 317.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(4S,5S)-2-oxo-1,10-dioxaspiro[4.5]decan-4-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10710572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).