(4R,5S)-4,5-bis(4-methoxy-2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one

C31H29NO6 — CID 139636777

IUPAC(4R,5S)-4,5-bis(4-methoxy-2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc([C@H]2NC(=O)O[C@H]2c2ccc(OC)cc2OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C31H29NO6/c1-34-23-13-15-25(27(17-23)36-19-21-9-5-3-6-10-21)29-30(38-31(33)32-29)26-16-14-24(35-2)18-28(26)37-20-22-11-7-4-8-12-22/h3-18,29-30H,19-20H2,1-2H3,(H,32,33)/t29-,30+/m1/s1
InChIKeyUQFOZJDXPFWNJI-IHLOFXLRSA-N
MW511.57 g/mol
LogP6.38
Rot. Bonds10

About (4R,5S)-4,5-bis(4-methoxy-2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one

(4R,5S)-4,5-bis(4-methoxy-2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 139636777) has the molecular formula C31H29NO6 and a molecular weight of 511.57 g/mol. Its IUPAC name is (4R,5S)-4,5-bis(4-methoxy-2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4,5-bis(4-methoxy-2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID139636777
Molecular FormulaC31H29NO6
Molecular Weight511.57 g/mol
Exact Mass511.20
IUPAC Name(4R,5S)-4,5-bis(4-methoxy-2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc([C@H]2NC(=O)O[C@H]2c2ccc(OC)cc2OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C31H29NO6/c1-34-23-13-15-25(27(17-23)36-19-21-9-5-3-6-10-21)29-30(38-31(33)32-29)26-16-14-24(35-2)18-28(26)37-20-22-11-7-4-8-12-22/h3-18,29-30H,19-20H2,1-2H3,(H,32,33)/t29-,30+/m1/s1
InChIKeyUQFOZJDXPFWNJI-IHLOFXLRSA-N
XLogP6.38
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.57
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R,5S)-4,5-bis(4-methoxy-2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

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CID 141347433
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CID 143652001
2-(2-ethoxy-4-methoxyphenyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
CID 139828383
3-(2,5-dimethoxyphenyl)-2-hydroxy-4,7-bis(phenylmethoxy)-2,3-dihydroinden-1-one
CID 141347441
4-(5-methoxy-2-phenylmethoxyphenyl)cyclohexane-1-carboxylic acid
CID 171115881
(4R,5S)-5-(hydroxymethyl)-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 24993379
azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride
CID 174629169
3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid
CID 71348441
methyl (4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylate
CID 91589926
(4R,5R)-4-[2,4-bis(phenylmethoxy)phenyl]-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 69164932
(3R,4S)-7-methoxy-3-phenyl-4-(4-phenylmethoxyphenyl)-3,4-dihydrochromen-2-one
CID 134938886
4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene
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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-bis(4-methoxy-2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-4,5-bis(4-methoxy-2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one (CID 139636777) is (4R,5S)-4,5-bis(4-methoxy-2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-4,5-bis(4-methoxy-2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-4,5-bis(4-methoxy-2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one is COc1ccc([C@H]2NC(=O)O[C@H]2c2ccc(OC)cc2OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of (4R,5S)-4,5-bis(4-methoxy-2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is UQFOZJDXPFWNJI-IHLOFXLRSA-N. The full InChI is InChI=1S/C31H29NO6/c1-34-23-13-15-25(27(17-23)36-19-21-9-5-3-6-10-21)29-30(38-31(33)32-29)26-16-14-24(35-2)18-28(26)37-20-22-11-7-4-8-12-22/h3-18,29-30H,19-20H2,1-2H3,(H,32,33)/t29-,30+/m1/s1.
What are the key properties of (4R,5S)-4,5-bis(4-methoxy-2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one?
(4R,5S)-4,5-bis(4-methoxy-2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 511.57 g/mol, XLogP of 6.38, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4,5-bis(4-methoxy-2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 139636777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).