methyl (1R,5S)-2-oxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxylate

C17H17NO5 — CID 139254683

IUPACmethyl (1R,5S)-2-oxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxylate
SMILESCOC(=O)C1[C@@H]2CCC(=O)[C@]12N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C17H17NO5/c1-22-15(20)14-11-7-8-13(19)17(11,14)18-12(9-23-16(18)21)10-5-3-2-4-6-10/h2-6,11-12,14H,7-9H2,1H3/t11-,12-,14?,17-/m0/s1
InChIKeyGZQSYLBUPMCLQP-OFPWLJOWSA-N
MW315.32 g/mol
LogP1.70
Rot. Bonds3

About methyl (1R,5S)-2-oxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxylate

methyl (1R,5S)-2-oxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 139254683) has the molecular formula C17H17NO5 and a molecular weight of 315.32 g/mol. Its IUPAC name is methyl (1R,5S)-2-oxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Namemethyl (1R,5S)-2-oxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxylate
PubChem CID139254683
Molecular FormulaC17H17NO5
Molecular Weight315.32 g/mol
Exact Mass315.11
IUPAC Namemethyl (1R,5S)-2-oxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxylate
SMILESCOC(=O)C1[C@@H]2CCC(=O)[C@]12N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C17H17NO5/c1-22-15(20)14-11-7-8-13(19)17(11,14)18-12(9-23-16(18)21)10-5-3-2-4-6-10/h2-6,11-12,14H,7-9H2,1H3/t11-,12-,14?,17-/m0/s1
InChIKeyGZQSYLBUPMCLQP-OFPWLJOWSA-N
XLogP1.70
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (1R,5S)-2-oxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl (5R)-2-oxo-1-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxylate
CID 135034452
methyl (4R,9aS)-1,6-dioxo-4-phenyl-3,4,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazine-9-carboxylate
CID 68650745
methyl (4R)-1,6-dioxo-4-phenyl-3,4,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazine-9-carboxylate
CID 68650748
methyl (5R,10S)-2,7-dioxo-5-phenyl-5,8,9,10-tetrahydro-4H-pyrido[1,2-d][1,4]oxazepine-10-carboxylate
CID 102279572
methyl (4S,6S,7S)-6-methyl-1-oxo-4,6-diphenyl-4,7,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7-carboxylate
CID 134971092
methyl (3S,8S,8aR)-5-oxo-3-phenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine-8-carboxylate
CID 101250290
dimethyl (1S,2S,3R)-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohex-4-ene-1,2-dicarboxylate
CID 101273234
methyl (2S,3R,6R,7S)-8-oxo-7-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-3-phenylsulfanyl-1-azabicyclo[4.2.0]octane-2-carboxylate
CID 10095382
diethyl (8R)-5-oxo-8-phenyl-1,3,7,8-tetrahydro-[1,3,4]oxadiazolo[3,4-c][1,3,4]oxadiazine-1,3-dicarboxylate
CID 101345822
(4R)-3-[2-azido-3-(4-methoxyphenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 135238850
(4S)-3-[(2S,3S)-2-azido-3-(4-methoxyphenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 99946142
4-phenyl-3-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 162535976

Frequently Asked Questions

What is the IUPAC name of methyl (1R,5S)-2-oxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxylate?
The IUPAC name of methyl (1R,5S)-2-oxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxylate (CID 139254683) is methyl (1R,5S)-2-oxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxylate.
What is the SMILES notation for methyl (1R,5S)-2-oxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxylate?
The canonical SMILES for methyl (1R,5S)-2-oxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxylate is COC(=O)C1[C@@H]2CCC(=O)[C@]12N1C(=O)OC[C@H]1c1ccccc1.
What is the InChIKey of methyl (1R,5S)-2-oxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxylate?
The InChIKey is GZQSYLBUPMCLQP-OFPWLJOWSA-N. The full InChI is InChI=1S/C17H17NO5/c1-22-15(20)14-11-7-8-13(19)17(11,14)18-12(9-23-16(18)21)10-5-3-2-4-6-10/h2-6,11-12,14H,7-9H2,1H3/t11-,12-,14?,17-/m0/s1.
What are the key properties of methyl (1R,5S)-2-oxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxylate?
methyl (1R,5S)-2-oxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxylate has a molecular weight of 315.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,5S)-2-oxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 139254683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).