(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

C24H22N2O3 — CID 102430690

IUPAC(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
SMILESC[C@@]12C[C@@]3(C(=O)N1[C@@H](c1ccccc1)CO2)c1ccccc1N[C@@H]3c1ccoc1
InChIInChI=1S/C24H22N2O3/c1-23-15-24(22(27)26(23)20(14-29-23)16-7-3-2-4-8-16)18-9-5-6-10-19(18)25-21(24)17-11-12-28-13-17/h2-13,20-21,25H,14-15H2,1H3/t20-,21-,23-,24-/m1/s1
InChIKeyUJCFWYGVMFFCGI-LUGTWXOSSA-N
MW386.45 g/mol
LogP4.40
Rot. Bonds2

About (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

(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 (PubChem CID 102430690) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID102430690
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name(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
SMILESC[C@@]12C[C@@]3(C(=O)N1[C@@H](c1ccccc1)CO2)c1ccccc1N[C@@H]3c1ccoc1
InChIInChI=1S/C24H22N2O3/c1-23-15-24(22(27)26(23)20(14-29-23)16-7-3-2-4-8-16)18-9-5-6-10-19(18)25-21(24)17-11-12-28-13-17/h2-13,20-21,25H,14-15H2,1H3/t20-,21-,23-,24-/m1/s1
InChIKeyUJCFWYGVMFFCGI-LUGTWXOSSA-N
XLogP4.40
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Related Compounds

(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
(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
(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
(3R,9aS)-9a-methyl-3-phenyl-2,3,6,7,8,9-hexahydro-[1,3]oxazolo[3,2-a]azepin-5-one
CID 10729053
(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
(3R,8S,8aS)-8-(4-methoxyphenyl)-8a-methyl-3-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 102024515
(3S,10bR)-8,9-dimethoxy-10b-methyl-3-phenyl-3,6-dihydro-2H-[1,3]oxazolo[2,3-a]isoquinolin-5-one
CID 10545042
(3R,8R,8aS)-6,6,8-triethyl-8a-methyl-3-phenyl-2,3,7,8-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 11522556

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@]12C[C@@]3(C(=O)N1[C@@H](c1ccccc1)CO2)c1ccccc1N[C@@H]3c1ccoc1.
What is the InChIKey of (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?
The InChIKey is UJCFWYGVMFFCGI-LUGTWXOSSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-23-15-24(22(27)26(23)20(14-29-23)16-7-3-2-4-8-16)18-9-5-6-10-19(18)25-21(24)17-11-12-28-13-17/h2-13,20-21,25H,14-15H2,1H3/t20-,21-,23-,24-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 386.45 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 102430690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).