benzyl (2S)-2-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylate

C26H28N2O5 — CID 129134942

IUPACbenzyl (2S)-2-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylate
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)[C@H]1CC12CCN(C(=O)OCc1ccccc1)CC2
InChIInChI=1S/C26H28N2O5/c1-18-22(20-10-6-3-7-11-20)33-25(31)28(18)23(29)21-16-26(21)12-14-27(15-13-26)24(30)32-17-19-8-4-2-5-9-19/h2-11,18,21-22H,12-17H2,1H3/t18-,21+,22-/m0/s1
InChIKeyPOEPGOUBCKOXJF-BWAGFHJFSA-N
MW448.52 g/mol
LogP4.53
Rot. Bonds4

About benzyl (2S)-2-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylate

benzyl (2S)-2-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylate (PubChem CID 129134942) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is benzyl (2S)-2-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylate
PubChem CID129134942
Molecular FormulaC26H28N2O5
Molecular Weight448.52 g/mol
Exact Mass448.20
IUPAC Namebenzyl (2S)-2-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylate
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)[C@H]1CC12CCN(C(=O)OCc1ccccc1)CC2
InChIInChI=1S/C26H28N2O5/c1-18-22(20-10-6-3-7-11-20)33-25(31)28(18)23(29)21-16-26(21)12-14-27(15-13-26)24(30)32-17-19-8-4-2-5-9-19/h2-11,18,21-22H,12-17H2,1H3/t18-,21+,22-/m0/s1
InChIKeyPOEPGOUBCKOXJF-BWAGFHJFSA-N
XLogP4.53
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzyl (2S)-2-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylate with MolForge

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Related Compounds

(2S)-2-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylic acid
CID 129116017
(2R)-6-phenylmethoxycarbonyl-6-azaspiro[2.5]octane-2-carboxylate
CID 86307203
benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate
CID 71302045
benzyl (4S)-4-amino-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 170907398
benzyl (2S,3R)-2-amino-5-azaspiro[2.4]heptane-5-carboxylate
CID 97294914
benzyl (2S)-2-[(1S)-1-azido-2-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 101041602
benzyl 2-(chloromethyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 130138285
benzyl (3R)-1-oxa-6-azaspiro[2.4]heptane-6-carboxylate
CID 97169066
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 2-oxo-4-sulfanyl-8-azaspiro[4.5]decane-8-carboxylate
CID 171485533
4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide
CID 57349112
benzyl (2R,3S)-2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 97294909

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylate?
The IUPAC name of benzyl (2S)-2-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylate (CID 129134942) is benzyl (2S)-2-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylate.
What is the SMILES notation for benzyl (2S)-2-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylate?
The canonical SMILES for benzyl (2S)-2-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylate is C[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)[C@H]1CC12CCN(C(=O)OCc1ccccc1)CC2.
What is the InChIKey of benzyl (2S)-2-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylate?
The InChIKey is POEPGOUBCKOXJF-BWAGFHJFSA-N. The full InChI is InChI=1S/C26H28N2O5/c1-18-22(20-10-6-3-7-11-20)33-25(31)28(18)23(29)21-16-26(21)12-14-27(15-13-26)24(30)32-17-19-8-4-2-5-9-19/h2-11,18,21-22H,12-17H2,1H3/t18-,21+,22-/m0/s1.
What are the key properties of benzyl (2S)-2-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylate?
benzyl (2S)-2-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylate has a molecular weight of 448.52 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylate is sourced from PubChem (CID 129134942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).