(4S)-3-[(2S,3S)-2-butyl-2-ethoxy-5-oxooxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one

C19H25NO5 — CID 10089042

IUPAC(4S)-3-[(2S,3S)-2-butyl-2-ethoxy-5-oxooxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCCCC[C@]1(OCC)OC(=O)C[C@@H]1N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C19H25NO5/c1-3-5-11-19(24-4-2)16(12-17(21)25-19)20-15(13-23-18(20)22)14-9-7-6-8-10-14/h6-10,15-16H,3-5,11-13H2,1-2H3/t15-,16+,19+/m1/s1
InChIKeyWVFDOALXWFKBDV-GJYPPUQNSA-N
MW347.41 g/mol
LogP3.42
Rot. Bonds7

About (4S)-3-[(2S,3S)-2-butyl-2-ethoxy-5-oxooxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(2S,3S)-2-butyl-2-ethoxy-5-oxooxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 10089042) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is (4S)-3-[(2S,3S)-2-butyl-2-ethoxy-5-oxooxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2S,3S)-2-butyl-2-ethoxy-5-oxooxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID10089042
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name(4S)-3-[(2S,3S)-2-butyl-2-ethoxy-5-oxooxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCCCC[C@]1(OCC)OC(=O)C[C@@H]1N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C19H25NO5/c1-3-5-11-19(24-4-2)16(12-17(21)25-19)20-15(13-23-18(20)22)14-9-7-6-8-10-14/h6-10,15-16H,3-5,11-13H2,1-2H3/t15-,16+,19+/m1/s1
InChIKeyWVFDOALXWFKBDV-GJYPPUQNSA-N
XLogP3.42
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-3-[(2S,3S)-2-butyl-2-ethoxy-5-oxooxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S,5R)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-5-carboxylic acid
CID 10969286
3-(2-Oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoic acid
CID 10376767
(4S)-3-[(3S)-3-methylhexanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 11161687
(3R,7aS)-7a-but-3-enyl-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 12154069
tert-butyl (3R,4S)-4,5-dimethyl-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl]hexanoate
CID 11257762
tert-butyl (1R,2R,3S)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-3-pentylcyclopropane-1-carboxylate
CID 139038611
(4S)-3-[(2R,3S)-2-ethoxy-5-oxo-2-(phenylmethoxymethyl)oxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 396645
methyl (4S,5R)-3-tert-butoxycarbonyl-2,2-dimethyl-4-(2,4-difluorophenyl)-5-oxazolidinecarboxylate
CID 15276490
3(S)-(3-Fluorophenyl)-3-(3-[3-(2-methyl-[1,3]dioxolan-2-yl)-propyl]-2-oxo-pyrrolidin-1-yl)-propionic acid ethyl ester
CID 15453760
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
tert-butyl (4S,5R)-5-carbonofluoridoyl-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3-carboxylate
CID 57745705

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2S,3S)-2-butyl-2-ethoxy-5-oxooxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2S,3S)-2-butyl-2-ethoxy-5-oxooxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 10089042) is (4S)-3-[(2S,3S)-2-butyl-2-ethoxy-5-oxooxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2S,3S)-2-butyl-2-ethoxy-5-oxooxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2S,3S)-2-butyl-2-ethoxy-5-oxooxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one is CCCC[C@]1(OCC)OC(=O)C[C@@H]1N1C(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-3-[(2S,3S)-2-butyl-2-ethoxy-5-oxooxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is WVFDOALXWFKBDV-GJYPPUQNSA-N. The full InChI is InChI=1S/C19H25NO5/c1-3-5-11-19(24-4-2)16(12-17(21)25-19)20-15(13-23-18(20)22)14-9-7-6-8-10-14/h6-10,15-16H,3-5,11-13H2,1-2H3/t15-,16+,19+/m1/s1.
What are the key properties of (4S)-3-[(2S,3S)-2-butyl-2-ethoxy-5-oxooxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(2S,3S)-2-butyl-2-ethoxy-5-oxooxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 347.41 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2S,3S)-2-butyl-2-ethoxy-5-oxooxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10089042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).