(4S)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[(2R)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;2-(3,4,5-trimethoxyphenyl)acetic acid

C81H110N4O29 — CID 158074928

IUPAC(4S)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[(2R)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;2-(3,4,5-trimethoxyphenyl)acetic acid
SMILESCOc1cc(CC(=O)N2C(=O)OC[C@@H]2C(C)C)cc(OC)c1OC.COc1cc(CC(=O)N2C(=O)OC[C@H]2C(C)C)cc(OC)c1OC.COc1cc(CC(=O)O)cc(OC)c1OC.COc1cc([C@@H](C)C(=O)N2C(=O)OC[C@H]2C(C)C)cc(OC)c1OC.COc1cc([C@H](C)C(=O)N2C(=O)OC[C@@H]2C(C)C)cc(OC)c1OC
InChIInChI=1S/2C18H25NO6.2C17H23NO6.C11H14O5/c2*1-10(2)13-9-25-18(21)19(13)17(20)11(3)12-7-14(22-4)16(24-6)15(8-12)23-5;2*1-10(2)12-9-24-17(20)18(12)15(19)8-11-6-13(21-3)16(23-5)14(7-11)22-4;1-14-8-4-7(6-10(12)13)5-9(15-2)11(8)16-3/h2*7-8,10-11,13H,9H2,1-6H3;2*6-7,10,12H,8-9H2,1-5H3;4-5H,6H2,1-3H3,(H,12,13)/t2*11-,13+;2*12-;/m1010./s1
InChIKeyFMGGNRRAABPBFW-ZJCBEYIHSA-N
MW1603.77 g/mol
LogP11.49
Rot. Bonds29

About (4S)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[(2R)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;2-(3,4,5-trimethoxyphenyl)acetic acid

(4S)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[(2R)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;2-(3,4,5-trimethoxyphenyl)acetic acid (PubChem CID 158074928) has the molecular formula C81H110N4O29 and a molecular weight of 1603.77 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[(2R)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;2-(3,4,5-trimethoxyphenyl)acetic acid.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[(2R)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;2-(3,4,5-trimethoxyphenyl)acetic acid
PubChem CID158074928
Molecular FormulaC81H110N4O29
Molecular Weight1603.77 g/mol
Exact Mass1602.73
IUPAC Name(4S)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[(2R)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;2-(3,4,5-trimethoxyphenyl)acetic acid
SMILESCOc1cc(CC(=O)N2C(=O)OC[C@@H]2C(C)C)cc(OC)c1OC.COc1cc(CC(=O)N2C(=O)OC[C@H]2C(C)C)cc(OC)c1OC.COc1cc(CC(=O)O)cc(OC)c1OC.COc1cc([C@@H](C)C(=O)N2C(=O)OC[C@H]2C(C)C)cc(OC)c1OC.COc1cc([C@H](C)C(=O)N2C(=O)OC[C@@H]2C(C)C)cc(OC)c1OC
InChIInChI=1S/2C18H25NO6.2C17H23NO6.C11H14O5/c2*1-10(2)13-9-25-18(21)19(13)17(20)11(3)12-7-14(22-4)16(24-6)15(8-12)23-5;2*1-10(2)12-9-24-17(20)18(12)15(19)8-11-6-13(21-3)16(23-5)14(7-11)22-4;1-14-8-4-7(6-10(12)13)5-9(15-2)11(8)16-3/h2*7-8,10-11,13H,9H2,1-6H3;2*6-7,10,12H,8-9H2,1-5H3;4-5H,6H2,1-3H3,(H,12,13)/t2*11-,13+;2*12-;/m1010./s1
InChIKeyFMGGNRRAABPBFW-ZJCBEYIHSA-N
XLogP11.49
TPSA362.19 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds29
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001603.77
LogP ≤ 511.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze (4S)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[(2R)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;2-(3,4,5-trimethoxyphenyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-propan-2-yl-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 11314073
(4S)-3-[2-(1,3-benzodioxol-5-yl)acetyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11130061
(4R)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11010755
(4S)-4-propan-2-yl-3-(3,3,3-trideuterio-2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 25239998
(4S)-3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 77106963
3-[2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one
CID 174059847
2,2-dimethyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid
CID 118343251
(4S)-4-propan-2-yl-3-[(2S)-2-(trideuteriomethyl)butanoyl]-1,3-oxazolidin-2-one
CID 131667934
3-(2-phenylselanylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 22298317
(4S)-3-[(2S)-2-(4-fluorophenyl)butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130277630
2-(3,4-dimethoxy-5-methylphenyl)acetic acid
CID 70527445
(4S)-3-[4-[(4-methoxyphenyl)methoxy]butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 14176356

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[(2R)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;2-(3,4,5-trimethoxyphenyl)acetic acid?
The IUPAC name of (4S)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[(2R)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;2-(3,4,5-trimethoxyphenyl)acetic acid (CID 158074928) is (4S)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[(2R)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;2-(3,4,5-trimethoxyphenyl)acetic acid.
What is the SMILES notation for (4S)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[(2R)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;2-(3,4,5-trimethoxyphenyl)acetic acid?
The canonical SMILES for (4S)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[(2R)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;2-(3,4,5-trimethoxyphenyl)acetic acid is COc1cc(CC(=O)N2C(=O)OC[C@@H]2C(C)C)cc(OC)c1OC.COc1cc(CC(=O)N2C(=O)OC[C@H]2C(C)C)cc(OC)c1OC.COc1cc(CC(=O)O)cc(OC)c1OC.COc1cc([C@@H](C)C(=O)N2C(=O)OC[C@H]2C(C)C)cc(OC)c1OC.COc1cc([C@H](C)C(=O)N2C(=O)OC[C@@H]2C(C)C)cc(OC)c1OC.
What is the InChIKey of (4S)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[(2R)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;2-(3,4,5-trimethoxyphenyl)acetic acid?
The InChIKey is FMGGNRRAABPBFW-ZJCBEYIHSA-N. The full InChI is InChI=1S/2C18H25NO6.2C17H23NO6.C11H14O5/c2*1-10(2)13-9-25-18(21)19(13)17(20)11(3)12-7-14(22-4)16(24-6)15(8-12)23-5;2*1-10(2)12-9-24-17(20)18(12)15(19)8-11-6-13(21-3)16(23-5)14(7-11)22-4;1-14-8-4-7(6-10(12)13)5-9(15-2)11(8)16-3/h2*7-8,10-11,13H,9H2,1-6H3;2*6-7,10,12H,8-9H2,1-5H3;4-5H,6H2,1-3H3,(H,12,13)/t2*11-,13+;2*12-;/m1010./s1.
What are the key properties of (4S)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[(2R)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;2-(3,4,5-trimethoxyphenyl)acetic acid?
(4S)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[(2R)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;2-(3,4,5-trimethoxyphenyl)acetic acid has a molecular weight of 1603.77 g/mol, XLogP of 11.49, 29 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-propan-2-yl-3-[(2R)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one;2-(3,4,5-trimethoxyphenyl)acetic acid is sourced from PubChem (CID 158074928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).