methyl (1R,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

C19H19NO6 — CID 135066616

IUPACmethyl (1R,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
SMILESCOC(=O)[C@@]12O[C@@H](C=C1C)CC(=O)C2N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C19H19NO6/c1-11-8-13-9-15(21)16(19(11,26-13)17(22)24-2)20-14(10-25-18(20)23)12-6-4-3-5-7-12/h3-8,13-14,16H,9-10H2,1-2H3/t13-,14-,16?,19+/m0/s1
InChIKeyQNNKFEKQNRUSHA-AUZUZBGMSA-N
MW357.36 g/mol
LogP1.78
Rot. Bonds3

About methyl (1R,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

methyl (1R,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 (PubChem CID 135066616) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is methyl (1R,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.

Molecular Properties

Compound Namemethyl (1R,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
PubChem CID135066616
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Namemethyl (1R,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
SMILESCOC(=O)[C@@]12O[C@@H](C=C1C)CC(=O)C2N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C19H19NO6/c1-11-8-13-9-15(21)16(19(11,26-13)17(22)24-2)20-14(10-25-18(20)23)12-6-4-3-5-7-12/h3-8,13-14,16H,9-10H2,1-2H3/t13-,14-,16?,19+/m0/s1
InChIKeyQNNKFEKQNRUSHA-AUZUZBGMSA-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)-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 with MolForge

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Launch Full Analysis

Related Compounds

3-O-tert-butyl 5-O-ethyl (4S,5R)-4-(4-fluorophenyl)-2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate
CID 54357806
3-O-tert-butyl 5-O-ethyl (4S,5R)-4-(2-fluorophenyl)-2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate
CID 54365105
3-O-tert-butyl 5-O-ethyl (4S,5R)-4-(3-fluorophenyl)-2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate
CID 153877878
(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

Frequently Asked Questions

What is the IUPAC name of methyl (1R,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?
The IUPAC name of methyl (1R,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 135066616) is methyl (1R,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.
What is the SMILES notation for methyl (1R,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?
The canonical SMILES for methyl (1R,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 is COC(=O)[C@@]12O[C@@H](C=C1C)CC(=O)C2N1C(=O)OC[C@H]1c1ccccc1.
What is the InChIKey of methyl (1R,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?
The InChIKey is QNNKFEKQNRUSHA-AUZUZBGMSA-N. The full InChI is InChI=1S/C19H19NO6/c1-11-8-13-9-15(21)16(19(11,26-13)17(22)24-2)20-14(10-25-18(20)23)12-6-4-3-5-7-12/h3-8,13-14,16H,9-10H2,1-2H3/t13-,14-,16?,19+/m0/s1.
What are the key properties of methyl (1R,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?
methyl (1R,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 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)-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 is sourced from PubChem (CID 135066616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).