2-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propanoylamino]benzoic acid

C21H20N2O4 — CID 11610260

IUPAC2-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propanoylamino]benzoic acid
SMILESCc1noc(C)c1-c1ccc(CCC(=O)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C21H20N2O4/c1-13-20(14(2)27-23-13)16-10-7-15(8-11-16)9-12-19(24)22-18-6-4-3-5-17(18)21(25)26/h3-8,10-11H,9,12H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyAMTVLHYWYMXOAF-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.23
Rot. Bonds6

About 2-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propanoylamino]benzoic acid

2-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propanoylamino]benzoic acid (PubChem CID 11610260) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propanoylamino]benzoic acid.

Molecular Properties

Compound Name2-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propanoylamino]benzoic acid
PubChem CID11610260
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name2-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propanoylamino]benzoic acid
SMILESCc1noc(C)c1-c1ccc(CCC(=O)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C21H20N2O4/c1-13-20(14(2)27-23-13)16-10-7-15(8-11-16)9-12-19(24)22-18-6-4-3-5-17(18)21(25)26/h3-8,10-11H,9,12H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyAMTVLHYWYMXOAF-UHFFFAOYSA-N
XLogP4.23
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[4-(2-methylphenyl)phenyl]propanoylamino]benzoic acid
CID 11523335
2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid
CID 10334118
2-[3-[4-(3-methylphenyl)phenyl]propanoylamino]benzoic acid
CID 11710202
2-[3-(4-bromophenyl)propanoylamino]benzoic acid
CID 141007972
2-[3-(4-naphthalen-2-ylphenyl)propanoylamino]benzoic acid
CID 11552978
2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoic acid
CID 138393314
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 55466376
2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]phenyl]acetic acid
CID 119218412
N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 155597416
2-[3-[4-[3-(nitrosomethyl)phenyl]phenyl]propanoylamino]benzoic acid
CID 143234447
2-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid
CID 15354514
N-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzamide
CID 55467217

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propanoylamino]benzoic acid?
The IUPAC name of 2-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propanoylamino]benzoic acid (CID 11610260) is 2-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propanoylamino]benzoic acid.
What is the SMILES notation for 2-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propanoylamino]benzoic acid?
The canonical SMILES for 2-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propanoylamino]benzoic acid is Cc1noc(C)c1-c1ccc(CCC(=O)Nc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propanoylamino]benzoic acid?
The InChIKey is AMTVLHYWYMXOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-13-20(14(2)27-23-13)16-10-7-15(8-11-16)9-12-19(24)22-18-6-4-3-5-17(18)21(25)26/h3-8,10-11H,9,12H2,1-2H3,(H,22,24)(H,25,26).
What are the key properties of 2-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propanoylamino]benzoic acid?
2-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propanoylamino]benzoic acid has a molecular weight of 364.40 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propanoylamino]benzoic acid is sourced from PubChem (CID 11610260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).