methyl (1R,5R)-5-methyl-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate

C19H19NO6 — CID 135067390

IUPACmethyl (1R,5R)-5-methyl-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate
SMILESCOC(=O)[C@@]12C=C[C@@](C)(CC(=O)C1N1C(=O)OC[C@H]1c1ccccc1)O2
InChIInChI=1S/C19H19NO6/c1-18-8-9-19(26-18,16(22)24-2)15(14(21)10-18)20-13(11-25-17(20)23)12-6-4-3-5-7-12/h3-9,13,15H,10-11H2,1-2H3/t13-,15?,18-,19+/m0/s1
InChIKeyMKGOGIGTJPOPHW-OADTWOEMSA-N
MW357.36 g/mol
LogP1.78
Rot. Bonds3

About methyl (1R,5R)-5-methyl-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate

methyl (1R,5R)-5-methyl-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate (PubChem CID 135067390) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is methyl (1R,5R)-5-methyl-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,5R)-5-methyl-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate
PubChem CID135067390
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Namemethyl (1R,5R)-5-methyl-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate
SMILESCOC(=O)[C@@]12C=C[C@@](C)(CC(=O)C1N1C(=O)OC[C@H]1c1ccccc1)O2
InChIInChI=1S/C19H19NO6/c1-18-8-9-19(26-18,16(22)24-2)15(14(21)10-18)20-13(11-25-17(20)23)12-6-4-3-5-7-12/h3-9,13,15H,10-11H2,1-2H3/t13-,15?,18-,19+/m0/s1
InChIKeyMKGOGIGTJPOPHW-OADTWOEMSA-N
XLogP1.78
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl (1R,5R)-5-methyl-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(4S)-3-[(1S,4R)-3-oxo-5-oxaspiro[3.5]nonan-1-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 10946544
methyl (1R,2S,5R)-7-methyl-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate
CID 71600487
6',6'-Dimethyl-5-phenylspiro[4-oxa-1-azabicyclo[3.2.0]heptane-6,2'-oxane]-4',7-dione
CID 134844674
(4S)-3-[(1S)-3-oxo-5-oxaspiro[3.5]nonan-1-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 134878947
(4R)-3-[(1S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 135013276
(4R)-3-[(5R)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 135013277
methyl (1S)-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate
CID 135013448
methyl (5R)-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate
CID 135013449
methyl (1S)-2-deuterio-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate
CID 135013522
methyl (5R)-2-deuterio-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate
CID 135013523
methyl (1S,5S)-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate
CID 135066599
methyl (1R,5R)-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate
CID 135066600

Frequently Asked Questions

What is the IUPAC name of methyl (1R,5R)-5-methyl-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate?
The IUPAC name of methyl (1R,5R)-5-methyl-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate (CID 135067390) is methyl (1R,5R)-5-methyl-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate.
What is the SMILES notation for methyl (1R,5R)-5-methyl-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate?
The canonical SMILES for methyl (1R,5R)-5-methyl-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate is COC(=O)[C@@]12C=C[C@@](C)(CC(=O)C1N1C(=O)OC[C@H]1c1ccccc1)O2.
What is the InChIKey of methyl (1R,5R)-5-methyl-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate?
The InChIKey is MKGOGIGTJPOPHW-OADTWOEMSA-N. The full InChI is InChI=1S/C19H19NO6/c1-18-8-9-19(26-18,16(22)24-2)15(14(21)10-18)20-13(11-25-17(20)23)12-6-4-3-5-7-12/h3-9,13,15H,10-11H2,1-2H3/t13-,15?,18-,19+/m0/s1.
What are the key properties of methyl (1R,5R)-5-methyl-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate?
methyl (1R,5R)-5-methyl-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate has a molecular weight of 357.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,5R)-5-methyl-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate is sourced from PubChem (CID 135067390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).