(2R,3R,3'S,7'aR)-7'a-methyl-2,3'-diphenylspiro[1,2-dihydroindole-3,6'-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole]-5'-one

C26H24N2O2 — CID 102430692

IUPAC(2R,3R,3'S,7'aR)-7'a-methyl-2,3'-diphenylspiro[1,2-dihydroindole-3,6'-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole]-5'-one
SMILESC[C@@]12C[C@@]3(C(=O)N1[C@@H](c1ccccc1)CO2)c1ccccc1N[C@@H]3c1ccccc1
InChIInChI=1S/C26H24N2O2/c1-25-17-26(24(29)28(25)22(16-30-25)18-10-4-2-5-11-18)20-14-8-9-15-21(20)27-23(26)19-12-6-3-7-13-19/h2-15,22-23,27H,16-17H2,1H3/t22-,23-,25-,26-/m1/s1
InChIKeySKBOISBHVMEDLX-OQUNMALSSA-N
MW396.49 g/mol
LogP4.81
Rot. Bonds2

About (2R,3R,3'S,7'aR)-7'a-methyl-2,3'-diphenylspiro[1,2-dihydroindole-3,6'-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole]-5'-one

(2R,3R,3'S,7'aR)-7'a-methyl-2,3'-diphenylspiro[1,2-dihydroindole-3,6'-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole]-5'-one (PubChem CID 102430692) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is (2R,3R,3'S,7'aR)-7'a-methyl-2,3'-diphenylspiro[1,2-dihydroindole-3,6'-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole]-5'-one.

Molecular Properties

Compound Name(2R,3R,3'S,7'aR)-7'a-methyl-2,3'-diphenylspiro[1,2-dihydroindole-3,6'-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole]-5'-one
PubChem CID102430692
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name(2R,3R,3'S,7'aR)-7'a-methyl-2,3'-diphenylspiro[1,2-dihydroindole-3,6'-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole]-5'-one
SMILESC[C@@]12C[C@@]3(C(=O)N1[C@@H](c1ccccc1)CO2)c1ccccc1N[C@@H]3c1ccccc1
InChIInChI=1S/C26H24N2O2/c1-25-17-26(24(29)28(25)22(16-30-25)18-10-4-2-5-11-18)20-14-8-9-15-21(20)27-23(26)19-12-6-3-7-13-19/h2-15,22-23,27H,16-17H2,1H3/t22-,23-,25-,26-/m1/s1
InChIKeySKBOISBHVMEDLX-OQUNMALSSA-N
XLogP4.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,3R,3'S,7'aR)-7'a-methyl-2,3'-diphenylspiro[1,2-dihydroindole-3,6'-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole]-5'-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

(2R,3R,3'S,7'aR)-2-(furan-3-yl)-7'a-methyl-3'-phenylspiro[1,2-dihydroindole-3,6'-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole]-5'-one
CID 102430690
(2R,5R)-2-methyl-5-phenyl-3-oxa-6-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),8,10,12,14,16-hexaen-7-one
CID 11439257
(3S,8aR)-8a-methyl-3-phenyl-3,8-dihydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 10966283
(3R,9aS)-9a-methyl-3-phenyl-2,3,6,7,8,9-hexahydro-[1,3]oxazolo[3,2-a]azepin-5-one
CID 10729053
(1R,2R,4S,7S)-3-[(1R)-1-cyclohexylethyl]-1-methyl-7-phenyl-9-oxa-3,6-diazatricyclo[4.3.0.02,4]nonan-5-one
CID 11013249
(3S,7S,8aR)-7-benzyl-8a-methyl-3-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 11782220
methyl (3R,6S,7aS)-6-(2,4-dinitrophenyl)-7a-methyl-5-oxo-3-phenyl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-6-carboxylate
CID 50994231
(3S,7aR)-7a-methyl-3,6-diphenyl-2,3-dihydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 11022657
3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 54857270
(1R,10R,14R)-14-phenyl-16-oxa-13-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-12-one
CID 10638299
1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl](113C)ethylidenechromium
CID 11133153
(3S,8aR)-8a-methyl-3-phenyl-2,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,2-a]pyridine
CID 10512968

Frequently Asked Questions

What is the IUPAC name of (2R,3R,3'S,7'aR)-7'a-methyl-2,3'-diphenylspiro[1,2-dihydroindole-3,6'-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole]-5'-one?
The IUPAC name of (2R,3R,3'S,7'aR)-7'a-methyl-2,3'-diphenylspiro[1,2-dihydroindole-3,6'-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole]-5'-one (CID 102430692) is (2R,3R,3'S,7'aR)-7'a-methyl-2,3'-diphenylspiro[1,2-dihydroindole-3,6'-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole]-5'-one.
What is the SMILES notation for (2R,3R,3'S,7'aR)-7'a-methyl-2,3'-diphenylspiro[1,2-dihydroindole-3,6'-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole]-5'-one?
The canonical SMILES for (2R,3R,3'S,7'aR)-7'a-methyl-2,3'-diphenylspiro[1,2-dihydroindole-3,6'-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole]-5'-one is C[C@@]12C[C@@]3(C(=O)N1[C@@H](c1ccccc1)CO2)c1ccccc1N[C@@H]3c1ccccc1.
What is the InChIKey of (2R,3R,3'S,7'aR)-7'a-methyl-2,3'-diphenylspiro[1,2-dihydroindole-3,6'-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole]-5'-one?
The InChIKey is SKBOISBHVMEDLX-OQUNMALSSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-25-17-26(24(29)28(25)22(16-30-25)18-10-4-2-5-11-18)20-14-8-9-15-21(20)27-23(26)19-12-6-3-7-13-19/h2-15,22-23,27H,16-17H2,1H3/t22-,23-,25-,26-/m1/s1.
What are the key properties of (2R,3R,3'S,7'aR)-7'a-methyl-2,3'-diphenylspiro[1,2-dihydroindole-3,6'-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole]-5'-one?
(2R,3R,3'S,7'aR)-7'a-methyl-2,3'-diphenylspiro[1,2-dihydroindole-3,6'-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole]-5'-one has a molecular weight of 396.49 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,3'S,7'aR)-7'a-methyl-2,3'-diphenylspiro[1,2-dihydroindole-3,6'-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole]-5'-one is sourced from PubChem (CID 102430692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).