(4S)-3-[(2S,3R,5R)-5-methoxy-3,5-diphenyloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one

C35H35NO4 — CID 10649971

IUPAC(4S)-3-[(2S,3R,5R)-5-methoxy-3,5-diphenyloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCO[C@]1(c2ccccc2)C[C@H](c2ccccc2)[C@@H](N2C(=O)OC(c3ccccc3)(c3ccccc3)[C@@H]2C(C)C)O1
InChIInChI=1S/C35H35NO4/c1-25(2)31-35(28-20-12-6-13-21-28,29-22-14-7-15-23-29)40-33(37)36(31)32-30(26-16-8-4-9-17-26)24-34(38-3,39-32)27-18-10-5-11-19-27/h4-23,25,30-32H,24H2,1-3H3/t30-,31+,32+,34-/m1/s1
InChIKeyNKQUBOAQSQQDJM-VXCQRBPESA-N
MW533.67 g/mol
LogP7.44
Rot. Bonds7

About (4S)-3-[(2S,3R,5R)-5-methoxy-3,5-diphenyloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(2S,3R,5R)-5-methoxy-3,5-diphenyloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 10649971) has the molecular formula C35H35NO4 and a molecular weight of 533.67 g/mol. Its IUPAC name is (4S)-3-[(2S,3R,5R)-5-methoxy-3,5-diphenyloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2S,3R,5R)-5-methoxy-3,5-diphenyloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID10649971
Molecular FormulaC35H35NO4
Molecular Weight533.67 g/mol
Exact Mass533.26
IUPAC Name(4S)-3-[(2S,3R,5R)-5-methoxy-3,5-diphenyloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCO[C@]1(c2ccccc2)C[C@H](c2ccccc2)[C@@H](N2C(=O)OC(c3ccccc3)(c3ccccc3)[C@@H]2C(C)C)O1
InChIInChI=1S/C35H35NO4/c1-25(2)31-35(28-20-12-6-13-21-28,29-22-14-7-15-23-29)40-33(37)36(31)32-30(26-16-8-4-9-17-26)24-34(38-3,39-32)27-18-10-5-11-19-27/h4-23,25,30-32H,24H2,1-3H3/t30-,31+,32+,34-/m1/s1
InChIKeyNKQUBOAQSQQDJM-VXCQRBPESA-N
XLogP7.44
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.67
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-3-[(2S,3R,5R)-5-methoxy-3,5-diphenyloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4S)-3-[(1S,2S)-2-(methoxymethoxy)-1-methylsulfanyl-2-phenylethyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11202681
(4S)-3-[[6-(1,4-dioxaspiro[4.5]dec-6-en-7-yl)hex-2-ynyl-dimethylsilyl]methyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101158425
(R)-4-[(1S,2S)-1-benzyloxy-2-dibenzylamino-3-(3,5-difluorophenyl)-propyl]-2,2-dimethyloxazolidine-3-carboxylic acid tert-butyl ester
CID 68558039
4-[(1S,2S)-1-benzyloxy-2-dibenzylamino-3-(3,5-difluorophenyl)-propyl]-2,2-dimethyloxazolidine-3-carboxylic acid tert-butyl ester
CID 68558042
(R)-4-[(1R,2S)-3-(3,5-difluorophenyl)-1-benzyloxy-2-dibenzylaminopropyl]-2,2-dimethyloxazolidine-3-carboxylic acid tert-butyl ester
CID 68558730
tert-butyl 4-[(1R,2S)-2-(dibenzylamino)-3-(3,5-difluorophenyl)-1-phenylmethoxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 68558736
Tert-butyl 4-[2-(dibenzylamino)-3-(3,5-difluorophenyl)-1-phenylmethoxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 77514015
benzyl (2R,3S,4S)-3,4-bis(phenylmethoxy)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxylate
CID 176242336
tert-butyl (2S,3R,4R,5R)-2-benzyl-5-butyl-3,4-bis(phenylmethoxy)pyrrolidine-1-carboxylate
CID 11082001
tert-butyl (2R,5S)-2-[(4S)-1-[tert-butyl(diphenyl)silyl]oxyoct-7-en-4-yl]-2-ethenyl-5-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 11578412
tert-butyl (2S,5S,6S)-6-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(phenylmethoxymethyl)-1-azaspiro[4.5]dec-9-ene-1-carboxylate
CID 101394724
(S)-N-Boc-2,2-dimethyl-4-((1S,2R)-1,2-bis(benzyloxy)-13-methyltetradecyl)-oxazolidine
CID 124220491

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2S,3R,5R)-5-methoxy-3,5-diphenyloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2S,3R,5R)-5-methoxy-3,5-diphenyloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 10649971) is (4S)-3-[(2S,3R,5R)-5-methoxy-3,5-diphenyloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2S,3R,5R)-5-methoxy-3,5-diphenyloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2S,3R,5R)-5-methoxy-3,5-diphenyloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is CO[C@]1(c2ccccc2)C[C@H](c2ccccc2)[C@@H](N2C(=O)OC(c3ccccc3)(c3ccccc3)[C@@H]2C(C)C)O1.
What is the InChIKey of (4S)-3-[(2S,3R,5R)-5-methoxy-3,5-diphenyloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is NKQUBOAQSQQDJM-VXCQRBPESA-N. The full InChI is InChI=1S/C35H35NO4/c1-25(2)31-35(28-20-12-6-13-21-28,29-22-14-7-15-23-29)40-33(37)36(31)32-30(26-16-8-4-9-17-26)24-34(38-3,39-32)27-18-10-5-11-19-27/h4-23,25,30-32H,24H2,1-3H3/t30-,31+,32+,34-/m1/s1.
What are the key properties of (4S)-3-[(2S,3R,5R)-5-methoxy-3,5-diphenyloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(2S,3R,5R)-5-methoxy-3,5-diphenyloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 533.67 g/mol, XLogP of 7.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2S,3R,5R)-5-methoxy-3,5-diphenyloxolan-2-yl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10649971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).