(2S,2'Z)-2'-benzylidene-5,5-dimethyl-3-phenylmethoxyspiro[1,3-oxazolidine-2,3'-1-benzofuran]-4-one

C26H23NO4 — CID 139095446

IUPAC(2S,2'Z)-2'-benzylidene-5,5-dimethyl-3-phenylmethoxyspiro[1,3-oxazolidine-2,3'-1-benzofuran]-4-one
SMILESCC1(C)O[C@@]2(/C(=C/c3ccccc3)Oc3ccccc32)N(OCc2ccccc2)C1=O
InChIInChI=1S/C26H23NO4/c1-25(2)24(28)27(29-18-20-13-7-4-8-14-20)26(31-25)21-15-9-10-16-22(21)30-23(26)17-19-11-5-3-6-12-19/h3-17H,18H2,1-2H3/b23-17-/t26-/m0/s1
InChIKeyIMRHPTMRPABANE-FGSNJIQSSA-N
MW413.47 g/mol
LogP5.04
Rot. Bonds4

About (2S,2'Z)-2'-benzylidene-5,5-dimethyl-3-phenylmethoxyspiro[1,3-oxazolidine-2,3'-1-benzofuran]-4-one

(2S,2'Z)-2'-benzylidene-5,5-dimethyl-3-phenylmethoxyspiro[1,3-oxazolidine-2,3'-1-benzofuran]-4-one (PubChem CID 139095446) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is (2S,2'Z)-2'-benzylidene-5,5-dimethyl-3-phenylmethoxyspiro[1,3-oxazolidine-2,3'-1-benzofuran]-4-one.

Molecular Properties

Compound Name(2S,2'Z)-2'-benzylidene-5,5-dimethyl-3-phenylmethoxyspiro[1,3-oxazolidine-2,3'-1-benzofuran]-4-one
PubChem CID139095446
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name(2S,2'Z)-2'-benzylidene-5,5-dimethyl-3-phenylmethoxyspiro[1,3-oxazolidine-2,3'-1-benzofuran]-4-one
SMILESCC1(C)O[C@@]2(/C(=C/c3ccccc3)Oc3ccccc32)N(OCc2ccccc2)C1=O
InChIInChI=1S/C26H23NO4/c1-25(2)24(28)27(29-18-20-13-7-4-8-14-20)26(31-25)21-15-9-10-16-22(21)30-23(26)17-19-11-5-3-6-12-19/h3-17H,18H2,1-2H3/b23-17-/t26-/m0/s1
InChIKeyIMRHPTMRPABANE-FGSNJIQSSA-N
XLogP5.04
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.47
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S,2'Z)-2'-benzylidene-5,5-dimethyl-3-phenylmethoxyspiro[1,3-oxazolidine-2,3'-1-benzofuran]-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-4-phenylmethoxy-1-oxa-4-azaspiro[4.6]undeca-6,8,10-trien-3-one
CID 154722316
2,6,6-trimethyl-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one
CID 154723152
5,5-dimethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidin-4-one
CID 141466755
2',7'-dibromo-2-[(E)-but-2-en-2-yl]-6,6-dimethyl-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one
CID 154723155
3,3-dimethyl-5-phenylmethoxy-1-benzofuran-2-one
CID 563751
3,5-dimethyl-3-(2-phenylmethoxyphenyl)-1-benzofuran-2-one
CID 11267934
2-[(E)-but-2-en-2-yl]-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one
CID 154723158
3,3-dimethyl-7-phenylmethoxy-2-benzofuran-1-one
CID 15261919
6-methyl-3-phenylmethoxy-4H-1,3-oxazin-2-one
CID 101450898
6,6-diphenyl-4-phenylmethoxymorpholine-2,3,5-trione
CID 71333879
[(1R,2E)-2-benzylidene-3-(dibenzylamino)cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 100951874
5-[[3,5-bis(phenylmethoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168599819

Frequently Asked Questions

What is the IUPAC name of (2S,2'Z)-2'-benzylidene-5,5-dimethyl-3-phenylmethoxyspiro[1,3-oxazolidine-2,3'-1-benzofuran]-4-one?
The IUPAC name of (2S,2'Z)-2'-benzylidene-5,5-dimethyl-3-phenylmethoxyspiro[1,3-oxazolidine-2,3'-1-benzofuran]-4-one (CID 139095446) is (2S,2'Z)-2'-benzylidene-5,5-dimethyl-3-phenylmethoxyspiro[1,3-oxazolidine-2,3'-1-benzofuran]-4-one.
What is the SMILES notation for (2S,2'Z)-2'-benzylidene-5,5-dimethyl-3-phenylmethoxyspiro[1,3-oxazolidine-2,3'-1-benzofuran]-4-one?
The canonical SMILES for (2S,2'Z)-2'-benzylidene-5,5-dimethyl-3-phenylmethoxyspiro[1,3-oxazolidine-2,3'-1-benzofuran]-4-one is CC1(C)O[C@@]2(/C(=C/c3ccccc3)Oc3ccccc32)N(OCc2ccccc2)C1=O.
What is the InChIKey of (2S,2'Z)-2'-benzylidene-5,5-dimethyl-3-phenylmethoxyspiro[1,3-oxazolidine-2,3'-1-benzofuran]-4-one?
The InChIKey is IMRHPTMRPABANE-FGSNJIQSSA-N. The full InChI is InChI=1S/C26H23NO4/c1-25(2)24(28)27(29-18-20-13-7-4-8-14-20)26(31-25)21-15-9-10-16-22(21)30-23(26)17-19-11-5-3-6-12-19/h3-17H,18H2,1-2H3/b23-17-/t26-/m0/s1.
What are the key properties of (2S,2'Z)-2'-benzylidene-5,5-dimethyl-3-phenylmethoxyspiro[1,3-oxazolidine-2,3'-1-benzofuran]-4-one?
(2S,2'Z)-2'-benzylidene-5,5-dimethyl-3-phenylmethoxyspiro[1,3-oxazolidine-2,3'-1-benzofuran]-4-one has a molecular weight of 413.47 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,2'Z)-2'-benzylidene-5,5-dimethyl-3-phenylmethoxyspiro[1,3-oxazolidine-2,3'-1-benzofuran]-4-one is sourced from PubChem (CID 139095446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).