ethyl 2-[(4S)-2-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidin-3-yl]pentanoate

C24H29NO5 — CID 139677052

IUPACethyl 2-[(4S)-2-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidin-3-yl]pentanoate
SMILESCCCC(C(=O)OCC)N1C(=O)OC[C@@H]1Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H29NO5/c1-3-8-22(23(26)28-4-2)25-20(17-30-24(25)27)15-18-11-13-21(14-12-18)29-16-19-9-6-5-7-10-19/h5-7,9-14,20,22H,3-4,8,15-17H2,1-2H3/t20-,22?/m0/s1
InChIKeyLINORKQOZUCOAU-AIBWNMTMSA-N
MW411.50 g/mol
LogP4.36
Rot. Bonds10

About ethyl 2-[(4S)-2-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidin-3-yl]pentanoate

ethyl 2-[(4S)-2-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidin-3-yl]pentanoate (PubChem CID 139677052) has the molecular formula C24H29NO5 and a molecular weight of 411.50 g/mol. Its IUPAC name is ethyl 2-[(4S)-2-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidin-3-yl]pentanoate.

Molecular Properties

Compound Nameethyl 2-[(4S)-2-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidin-3-yl]pentanoate
PubChem CID139677052
Molecular FormulaC24H29NO5
Molecular Weight411.50 g/mol
Exact Mass411.20
IUPAC Nameethyl 2-[(4S)-2-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidin-3-yl]pentanoate
SMILESCCCC(C(=O)OCC)N1C(=O)OC[C@@H]1Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H29NO5/c1-3-8-22(23(26)28-4-2)25-20(17-30-24(25)27)15-18-11-13-21(14-12-18)29-16-19-9-6-5-7-10-19/h5-7,9-14,20,22H,3-4,8,15-17H2,1-2H3/t20-,22?/m0/s1
InChIKeyLINORKQOZUCOAU-AIBWNMTMSA-N
XLogP4.36
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 68997353
(4R)-4-benzyl-3-(1-sulfanylethyl)-1,3-oxazolidin-2-one
CID 170024134
(4S)-4-benzyl-3-[(1S)-1-sulfanylethyl]-1,3-oxazolidin-2-one
CID 139924962
(4R)-4-benzyl-3-[(1R)-1-sulfanylethyl]-1,3-oxazolidin-2-one
CID 139924961
(4S)-4-benzyl-3-[(1S)-2-(4-hydroxyphenyl)-1-phenoxyethyl]-1,3-oxazolidin-2-one
CID 54118311
4-benzyl-3-[(1S)-2-(4-hydroxyphenyl)-1-phenoxyethyl]-1,3-oxazolidin-2-one
CID 67697022
(4S)-4-benzyl-3-[(4S)-5-[(4-phenylmethoxyphenyl)methyl]-2-sulfanylidene-1,3-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one
CID 5387494
4-benzyl-3-[3-(1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
CID 67330947
4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-[(2,6-dimethyl-4-phenylmethoxyphenyl)methyl]-4-oxobutanal
CID 87353998
ethyl (2R)-2-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl (2R)-2-ethoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 159032947
ethyl (2E,4E,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2,4,6-trimethyl-7-oxohepta-2,4-dienoate
CID 10861963
2-[4-[[4-[(4-carbamimidoylphenyl)methoxy]phenyl]methyl]-2-oxo-1,3-oxazolidin-3-yl]acetic acid
CID 91452655

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4S)-2-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidin-3-yl]pentanoate?
The IUPAC name of ethyl 2-[(4S)-2-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidin-3-yl]pentanoate (CID 139677052) is ethyl 2-[(4S)-2-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidin-3-yl]pentanoate.
What is the SMILES notation for ethyl 2-[(4S)-2-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidin-3-yl]pentanoate?
The canonical SMILES for ethyl 2-[(4S)-2-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidin-3-yl]pentanoate is CCCC(C(=O)OCC)N1C(=O)OC[C@@H]1Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of ethyl 2-[(4S)-2-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidin-3-yl]pentanoate?
The InChIKey is LINORKQOZUCOAU-AIBWNMTMSA-N. The full InChI is InChI=1S/C24H29NO5/c1-3-8-22(23(26)28-4-2)25-20(17-30-24(25)27)15-18-11-13-21(14-12-18)29-16-19-9-6-5-7-10-19/h5-7,9-14,20,22H,3-4,8,15-17H2,1-2H3/t20-,22?/m0/s1.
What are the key properties of ethyl 2-[(4S)-2-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidin-3-yl]pentanoate?
ethyl 2-[(4S)-2-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidin-3-yl]pentanoate has a molecular weight of 411.50 g/mol, XLogP of 4.36, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4S)-2-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidin-3-yl]pentanoate is sourced from PubChem (CID 139677052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).