(4R,5S)-3-[(2R,3R,6R)-2,6-dimethoxy-2-methyloxan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one

C23H27NO5 — CID 101138120

IUPAC(4R,5S)-3-[(2R,3R,6R)-2,6-dimethoxy-2-methyloxan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESCO[C@H]1CCC(N2C(=O)O[C@@H](c3ccccc3)[C@H]2c2ccccc2)[C@](C)(OC)O1
InChIInChI=1S/C23H27NO5/c1-23(27-3)18(14-15-19(26-2)29-23)24-20(16-10-6-4-7-11-16)21(28-22(24)25)17-12-8-5-9-13-17/h4-13,18-21H,14-15H2,1-3H3/t18?,19-,20-,21+,23-/m1/s1
InChIKeyALMORIFDVFWSOJ-XQCCBEFTSA-N
MW397.47 g/mol
LogP4.44
Rot. Bonds5

About (4R,5S)-3-[(2R,3R,6R)-2,6-dimethoxy-2-methyloxan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one

(4R,5S)-3-[(2R,3R,6R)-2,6-dimethoxy-2-methyloxan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one (PubChem CID 101138120) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is (4R,5S)-3-[(2R,3R,6R)-2,6-dimethoxy-2-methyloxan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3-[(2R,3R,6R)-2,6-dimethoxy-2-methyloxan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
PubChem CID101138120
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Name(4R,5S)-3-[(2R,3R,6R)-2,6-dimethoxy-2-methyloxan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESCO[C@H]1CCC(N2C(=O)O[C@@H](c3ccccc3)[C@H]2c2ccccc2)[C@](C)(OC)O1
InChIInChI=1S/C23H27NO5/c1-23(27-3)18(14-15-19(26-2)29-23)24-20(16-10-6-4-7-11-16)21(28-22(24)25)17-12-8-5-9-13-17/h4-13,18-21H,14-15H2,1-3H3/t18?,19-,20-,21+,23-/m1/s1
InChIKeyALMORIFDVFWSOJ-XQCCBEFTSA-N
XLogP4.44
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-[(2R,3R,6R)-2,6-dimethoxy-2-methyloxan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-3-[(2R,3R,6R)-2,6-dimethoxy-2-methyloxan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one (CID 101138120) is (4R,5S)-3-[(2R,3R,6R)-2,6-dimethoxy-2-methyloxan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-3-[(2R,3R,6R)-2,6-dimethoxy-2-methyloxan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-3-[(2R,3R,6R)-2,6-dimethoxy-2-methyloxan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one is CO[C@H]1CCC(N2C(=O)O[C@@H](c3ccccc3)[C@H]2c2ccccc2)[C@](C)(OC)O1.
What is the InChIKey of (4R,5S)-3-[(2R,3R,6R)-2,6-dimethoxy-2-methyloxan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The InChIKey is ALMORIFDVFWSOJ-XQCCBEFTSA-N. The full InChI is InChI=1S/C23H27NO5/c1-23(27-3)18(14-15-19(26-2)29-23)24-20(16-10-6-4-7-11-16)21(28-22(24)25)17-12-8-5-9-13-17/h4-13,18-21H,14-15H2,1-3H3/t18?,19-,20-,21+,23-/m1/s1.
What are the key properties of (4R,5S)-3-[(2R,3R,6R)-2,6-dimethoxy-2-methyloxan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
(4R,5S)-3-[(2R,3R,6R)-2,6-dimethoxy-2-methyloxan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one has a molecular weight of 397.47 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-[(2R,3R,6R)-2,6-dimethoxy-2-methyloxan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101138120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).