3-[2-ethoxy-5-oxo-2-(phenylmethoxymethyl)oxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one

C23H25NO6 — CID 4596631

IUPAC3-[2-ethoxy-5-oxo-2-(phenylmethoxymethyl)oxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCCOC1(COCc2ccccc2)OC(=O)CC1N1C(=O)OCC1c1ccccc1
InChIInChI=1S/C23H25NO6/c1-2-29-23(16-27-14-17-9-5-3-6-10-17)20(13-21(25)30-23)24-19(15-28-22(24)26)18-11-7-4-8-12-18/h3-12,19-20H,2,13-16H2,1H3
InChIKeyGCLSIAJDPIGHKU-UHFFFAOYSA-N
MW411.45 g/mol
LogP3.44
Rot. Bonds8

About 3-[2-ethoxy-5-oxo-2-(phenylmethoxymethyl)oxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one

3-[2-ethoxy-5-oxo-2-(phenylmethoxymethyl)oxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 4596631) has the molecular formula C23H25NO6 and a molecular weight of 411.45 g/mol. Its IUPAC name is 3-[2-ethoxy-5-oxo-2-(phenylmethoxymethyl)oxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-ethoxy-5-oxo-2-(phenylmethoxymethyl)oxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID4596631
Molecular FormulaC23H25NO6
Molecular Weight411.45 g/mol
Exact Mass411.17
IUPAC Name3-[2-ethoxy-5-oxo-2-(phenylmethoxymethyl)oxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCCOC1(COCc2ccccc2)OC(=O)CC1N1C(=O)OCC1c1ccccc1
InChIInChI=1S/C23H25NO6/c1-2-29-23(16-27-14-17-9-5-3-6-10-17)20(13-21(25)30-23)24-19(15-28-22(24)26)18-11-7-4-8-12-18/h3-12,19-20H,2,13-16H2,1H3
InChIKeyGCLSIAJDPIGHKU-UHFFFAOYSA-N
XLogP3.44
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Benzyl (2R,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10566995
(2S,4S)-3-Benzyloxycarbonyl-4-methyl-2-phenyl-1,3-oxazolidin-5-one
CID 10638764
benzyl (2S,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10757398
(4S)-3-[(2R,3S)-2-ethoxy-5-oxo-2-(phenylmethoxymethyl)oxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 396645
(S)-3-{4-[2-(4-fluorophenyl)-[1,3]-dioxolan-2-yl]butyryl}-4-phenyloxazolidin-2-one
CID 24983530
(4S,5R)-3-[(1S)-4-oxo-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 10575062
(4S)-3-[(4S,5S)-2-oxo-1,10-dioxaspiro[4.5]decan-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 10710572
methyl 2-[(1R,5R,8aR)-3-oxo-1-[(1S)-1-phenylmethoxyhexyl]-1,5,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-5-yl]acetate
CID 10905482
tert-butyl (1S,2S)-2-[[(1S)-1-phenylethyl]-phenylmethoxycarbonylamino]cyclopent-3-ene-1-carboxylate
CID 11350695
tert-butyl (3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 12113505
N-benzyloxycarbonyl-1,4-dioxa-7-azaspiro[4,4]nonane-8(s)-carboxylic acid ethyl ester
CID 15234787
(4R)-3-[(3R)-3-methyl-4-phenylmethoxybutanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 24950516

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxy-5-oxo-2-(phenylmethoxymethyl)oxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-ethoxy-5-oxo-2-(phenylmethoxymethyl)oxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 4596631) is 3-[2-ethoxy-5-oxo-2-(phenylmethoxymethyl)oxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-ethoxy-5-oxo-2-(phenylmethoxymethyl)oxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-ethoxy-5-oxo-2-(phenylmethoxymethyl)oxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one is CCOC1(COCc2ccccc2)OC(=O)CC1N1C(=O)OCC1c1ccccc1.
What is the InChIKey of 3-[2-ethoxy-5-oxo-2-(phenylmethoxymethyl)oxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is GCLSIAJDPIGHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO6/c1-2-29-23(16-27-14-17-9-5-3-6-10-17)20(13-21(25)30-23)24-19(15-28-22(24)26)18-11-7-4-8-12-18/h3-12,19-20H,2,13-16H2,1H3.
What are the key properties of 3-[2-ethoxy-5-oxo-2-(phenylmethoxymethyl)oxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
3-[2-ethoxy-5-oxo-2-(phenylmethoxymethyl)oxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 411.45 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxy-5-oxo-2-(phenylmethoxymethyl)oxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 4596631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).