tert-butyl (4R,5S)-1'-methyl-2-oxo-5-phenylspiro[1,3-oxazolidine-4,3'-2H-indole]-3-carboxylate

C22H24N2O4 — CID 138977780

IUPACtert-butyl (4R,5S)-1'-methyl-2-oxo-5-phenylspiro[1,3-oxazolidine-4,3'-2H-indole]-3-carboxylate
SMILESCN1C[C@]2(c3ccccc31)[C@H](c1ccccc1)OC(=O)N2C(=O)OC(C)(C)C
InChIInChI=1S/C22H24N2O4/c1-21(2,3)28-20(26)24-19(25)27-18(15-10-6-5-7-11-15)22(24)14-23(4)17-13-9-8-12-16(17)22/h5-13,18H,14H2,1-4H3/t18-,22-/m0/s1
InChIKeyLASZDCMYVHWUGO-AVRDEDQJSA-N
MW380.44 g/mol
LogP4.46
Rot. Bonds1

About tert-butyl (4R,5S)-1'-methyl-2-oxo-5-phenylspiro[1,3-oxazolidine-4,3'-2H-indole]-3-carboxylate

tert-butyl (4R,5S)-1'-methyl-2-oxo-5-phenylspiro[1,3-oxazolidine-4,3'-2H-indole]-3-carboxylate (PubChem CID 138977780) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is tert-butyl (4R,5S)-1'-methyl-2-oxo-5-phenylspiro[1,3-oxazolidine-4,3'-2H-indole]-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R,5S)-1'-methyl-2-oxo-5-phenylspiro[1,3-oxazolidine-4,3'-2H-indole]-3-carboxylate
PubChem CID138977780
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Nametert-butyl (4R,5S)-1'-methyl-2-oxo-5-phenylspiro[1,3-oxazolidine-4,3'-2H-indole]-3-carboxylate
SMILESCN1C[C@]2(c3ccccc31)[C@H](c1ccccc1)OC(=O)N2C(=O)OC(C)(C)C
InChIInChI=1S/C22H24N2O4/c1-21(2,3)28-20(26)24-19(25)27-18(15-10-6-5-7-11-15)22(24)14-23(4)17-13-9-8-12-16(17)22/h5-13,18H,14H2,1-4H3/t18-,22-/m0/s1
InChIKeyLASZDCMYVHWUGO-AVRDEDQJSA-N
XLogP4.46
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (4R,5S)-1'-methyl-2-oxo-5-phenylspiro[1,3-oxazolidine-4,3'-2H-indole]-3-carboxylate with MolForge

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Related Compounds

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CID 102501815
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3-O-tert-butyl 4-O-methyl (4R,5R)-2-oxo-5-phenyl-1,3-oxazolidine-3,4-dicarboxylate
CID 102207772
tert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 21299736
tert-butyl (4S)-2-oxo-4-phenylazetidine-1-carboxylate
CID 42598467
(2R,4S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid
CID 57172528
tert-butyl (3S)-3-benzyl-3-[(1R,3E)-3-benzylidene-4-oxocyclopentyl]-2-oxoindole-1-carboxylate
CID 71680995
tert-butyl (3S)-3-acetyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 67735629
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CID 23121838
tert-butyl (3R)-3-benzyl-3-ethyl-2-oxoindole-1-carboxylate
CID 56966781
tert-butyl (3R)-3-benzyl-3-[[(5S)-2,4-dioxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-2-oxoindole-1-carboxylate
CID 177474380
trans-ditert-butyl (2S,6S)-4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R,5S)-1'-methyl-2-oxo-5-phenylspiro[1,3-oxazolidine-4,3'-2H-indole]-3-carboxylate?
The IUPAC name of tert-butyl (4R,5S)-1'-methyl-2-oxo-5-phenylspiro[1,3-oxazolidine-4,3'-2H-indole]-3-carboxylate (CID 138977780) is tert-butyl (4R,5S)-1'-methyl-2-oxo-5-phenylspiro[1,3-oxazolidine-4,3'-2H-indole]-3-carboxylate.
What is the SMILES notation for tert-butyl (4R,5S)-1'-methyl-2-oxo-5-phenylspiro[1,3-oxazolidine-4,3'-2H-indole]-3-carboxylate?
The canonical SMILES for tert-butyl (4R,5S)-1'-methyl-2-oxo-5-phenylspiro[1,3-oxazolidine-4,3'-2H-indole]-3-carboxylate is CN1C[C@]2(c3ccccc31)[C@H](c1ccccc1)OC(=O)N2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R,5S)-1'-methyl-2-oxo-5-phenylspiro[1,3-oxazolidine-4,3'-2H-indole]-3-carboxylate?
The InChIKey is LASZDCMYVHWUGO-AVRDEDQJSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-21(2,3)28-20(26)24-19(25)27-18(15-10-6-5-7-11-15)22(24)14-23(4)17-13-9-8-12-16(17)22/h5-13,18H,14H2,1-4H3/t18-,22-/m0/s1.
What are the key properties of tert-butyl (4R,5S)-1'-methyl-2-oxo-5-phenylspiro[1,3-oxazolidine-4,3'-2H-indole]-3-carboxylate?
tert-butyl (4R,5S)-1'-methyl-2-oxo-5-phenylspiro[1,3-oxazolidine-4,3'-2H-indole]-3-carboxylate has a molecular weight of 380.44 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R,5S)-1'-methyl-2-oxo-5-phenylspiro[1,3-oxazolidine-4,3'-2H-indole]-3-carboxylate is sourced from PubChem (CID 138977780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).