4-methyl-2-[5-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3-oxazolidin-3-yl]pentanoic acid

C19H22N2O4S — CID 10199419

IUPAC4-methyl-2-[5-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3-oxazolidin-3-yl]pentanoic acid
SMILESCC(C)CC(C(=O)O)N1COC(=O)C1Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H22N2O4S/c1-12(2)8-15(18(22)23)21-11-25-19(24)16(21)9-14-10-26-17(20-14)13-6-4-3-5-7-13/h3-7,10,12,15-16H,8-9,11H2,1-2H3,(H,22,23)
InChIKeyLIHRCPQWZOWENZ-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.04
Rot. Bonds7

About 4-methyl-2-[5-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3-oxazolidin-3-yl]pentanoic acid

4-methyl-2-[5-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3-oxazolidin-3-yl]pentanoic acid (PubChem CID 10199419) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-methyl-2-[5-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3-oxazolidin-3-yl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[5-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3-oxazolidin-3-yl]pentanoic acid
PubChem CID10199419
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name4-methyl-2-[5-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3-oxazolidin-3-yl]pentanoic acid
SMILESCC(C)CC(C(=O)O)N1COC(=O)C1Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H22N2O4S/c1-12(2)8-15(18(22)23)21-11-25-19(24)16(21)9-14-10-26-17(20-14)13-6-4-3-5-7-13/h3-7,10,12,15-16H,8-9,11H2,1-2H3,(H,22,23)
InChIKeyLIHRCPQWZOWENZ-UHFFFAOYSA-N
XLogP3.04
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[5-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3-oxazolidin-3-yl]pentanoic acid with MolForge

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Related Compounds

3-oxo-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxylic acid
CID 154960214
(2S)-2-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)amino]-3-(2-phenyl-1,3-thiazol-4-yl)propanoic acid
CID 142141679
(2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 92928991
2-[[1-carboxy-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]amino]-4-methylpentanoic acid
CID 23572948
(2S)-2-[[(2S)-1-(2,2-dimethylpropanoyloxymethoxy)-1-oxo-3-(2-phenyl-1,3-thiazol-4-yl)propan-2-yl]amino]-4-methylpentanoic acid
CID 58632820
1-(2-phenyl-1,3-thiazol-4-yl)propan-2-ol
CID 115089425
(2R)-5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-2-(2-methylpropyl)-4-oxopentanoic acid
CID 159025387
(2S)-2-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid
CID 29131429
(2S)-2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid;methanethiol
CID 142371292
(2S)-4-methyl-2-[[2-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetyl]amino]pentanoic acid
CID 120694359
2-(2-phenyl-1,3-thiazol-4-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30181961
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[5-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3-oxazolidin-3-yl]pentanoic acid?
The IUPAC name of 4-methyl-2-[5-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3-oxazolidin-3-yl]pentanoic acid (CID 10199419) is 4-methyl-2-[5-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3-oxazolidin-3-yl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[5-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3-oxazolidin-3-yl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[5-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3-oxazolidin-3-yl]pentanoic acid is CC(C)CC(C(=O)O)N1COC(=O)C1Cc1csc(-c2ccccc2)n1.
What is the InChIKey of 4-methyl-2-[5-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3-oxazolidin-3-yl]pentanoic acid?
The InChIKey is LIHRCPQWZOWENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-12(2)8-15(18(22)23)21-11-25-19(24)16(21)9-14-10-26-17(20-14)13-6-4-3-5-7-13/h3-7,10,12,15-16H,8-9,11H2,1-2H3,(H,22,23).
What are the key properties of 4-methyl-2-[5-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3-oxazolidin-3-yl]pentanoic acid?
4-methyl-2-[5-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3-oxazolidin-3-yl]pentanoic acid has a molecular weight of 374.46 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[5-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3-oxazolidin-3-yl]pentanoic acid is sourced from PubChem (CID 10199419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).