3-(4-methoxyphenyl)-4-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid

C21H20N2O5 — CID 75368130

IUPAC3-(4-methoxyphenyl)-4-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(-c2noc(C(=O)O)c2[C@@H](C)NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C21H20N2O5/c1-13(22-17(24)12-14-6-4-3-5-7-14)18-19(23-28-20(18)21(25)26)15-8-10-16(27-2)11-9-15/h3-11,13H,12H2,1-2H3,(H,22,24)(H,25,26)/t13-/m1/s1
InChIKeyLBJKHBLMAKTKBE-CYBMUJFWSA-N
MW380.40 g/mol
LogP3.47
Rot. Bonds7

About 3-(4-methoxyphenyl)-4-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid

3-(4-methoxyphenyl)-4-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 75368130) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
PubChem CID75368130
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name3-(4-methoxyphenyl)-4-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(-c2noc(C(=O)O)c2[C@@H](C)NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C21H20N2O5/c1-13(22-17(24)12-14-6-4-3-5-7-14)18-19(23-28-20(18)21(25)26)15-8-10-16(27-2)11-9-15/h3-11,13H,12H2,1-2H3,(H,22,24)(H,25,26)/t13-/m1/s1
InChIKeyLBJKHBLMAKTKBE-CYBMUJFWSA-N
XLogP3.47
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-4-[1-(pyridine-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid
CID 162935431
3-(4-fluorophenyl)-4-[1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
CID 163002409
4-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 162815951
4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 163101755
5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 75368231
N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide
CID 50747785
5-(1-acetamidoethyl)-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 163062920
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760240
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 9366106
N,N-diethyl-4-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 100629454
N,N-diethyl-4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 162958472
3-(4-fluorophenyl)-4-[(1R)-1-(pyridine-3-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid
CID 75368173

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(4-methoxyphenyl)-4-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid (CID 75368130) is 3-(4-methoxyphenyl)-4-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(4-methoxyphenyl)-4-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid is COc1ccc(-c2noc(C(=O)O)c2[C@@H](C)NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is LBJKHBLMAKTKBE-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-13(22-17(24)12-14-6-4-3-5-7-14)18-19(23-28-20(18)21(25)26)15-8-10-16(27-2)11-9-15/h3-11,13H,12H2,1-2H3,(H,22,24)(H,25,26)/t13-/m1/s1.
What are the key properties of 3-(4-methoxyphenyl)-4-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid?
3-(4-methoxyphenyl)-4-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 380.40 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 75368130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).