5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid

C12H12N2O3 — CID 82082347

IUPAC5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCc1ccc(-c2c(C(=O)O)noc2N)c(C)c1
InChIInChI=1S/C12H12N2O3/c1-6-3-4-8(7(2)5-6)9-10(12(15)16)14-17-11(9)13/h3-5H,13H2,1-2H3,(H,15,16)
InChIKeyKQUQRYVSZMJOBZ-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.24
Rot. Bonds2

About 5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid

5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 82082347) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID82082347
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCc1ccc(-c2c(C(=O)O)noc2N)c(C)c1
InChIInChI=1S/C12H12N2O3/c1-6-3-4-8(7(2)5-6)9-10(12(15)16)14-17-11(9)13/h3-5H,13H2,1-2H3,(H,15,16)
InChIKeyKQUQRYVSZMJOBZ-UHFFFAOYSA-N
XLogP2.24
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylate
CID 82086058
5-(2,4-dimethylphenyl)-4-methyl-1,2-oxazole-3-carboxylic acid
CID 82082017
methyl 5-amino-4-(2,5-dimethylphenyl)-1,2-oxazole-3-carboxylate
CID 82086057
3-(2,4-dimethylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335592
4-(2,4-dimethylphenyl)-3-(2-methoxyethyl)-1,2-oxazol-5-amine
CID 82086131
5-amino-4-(5-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 82092642
4-(2,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine
CID 82469635
4-(4-chlorophenyl)-3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 43335821
4-(2,4-dimethylphenyl)-3-methylbenzoic acid
CID 53225261
5-amino-4-(3-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 82087875
5-amino-4-(4-bromothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 82489707
3,4,5-tris(2,4-dimethylphenyl)phthalic acid
CID 54385207

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid (CID 82082347) is 5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid is Cc1ccc(-c2c(C(=O)O)noc2N)c(C)c1.
What is the InChIKey of 5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is KQUQRYVSZMJOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-6-3-4-8(7(2)5-6)9-10(12(15)16)14-17-11(9)13/h3-5H,13H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid?
5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 82082347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).