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

C11H10N2O4 — CID 82389839

IUPAC4-amino-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccc(-c2onc(C(=O)O)c2N)cc1
InChIInChI=1S/C11H10N2O4/c1-16-7-4-2-6(3-5-7)10-8(12)9(11(14)15)13-17-10/h2-5H,12H2,1H3,(H,14,15)
InChIKeyCMPFYKBYFHCHER-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.63
Rot. Bonds3

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

4-amino-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 82389839) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 4-amino-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID82389839
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name4-amino-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccc(-c2onc(C(=O)O)c2N)cc1
InChIInChI=1S/C11H10N2O4/c1-16-7-4-2-6(3-5-7)10-8(12)9(11(14)15)13-17-10/h2-5H,12H2,1H3,(H,14,15)
InChIKeyCMPFYKBYFHCHER-UHFFFAOYSA-N
XLogP1.63
TPSA98.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-diamino-5-(4-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 15556162
4-bromo-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 102158832
3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 25249929
5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxylic acid
CID 139598398
3-[5-(4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid
CID 82302127
4,5-bis(4-methoxyphenyl)-1,3-oxazole-2-carboxylic acid
CID 141107611
2-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 152915211
[5-(4-methoxyphenyl)-4-methyl-1,2-oxazol-3-yl]methanol
CID 54846669
3-amino-5-(4-methoxyphenyl)-1,2-oxazole-4-carbonitrile
CID 83704376
6-(4-methoxyphenyl)pyridine-2,3-dicarboxylic acid
CID 16637669
5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride
CID 43840572
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 135116460

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-amino-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid (CID 82389839) is 4-amino-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-amino-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid is COc1ccc(-c2onc(C(=O)O)c2N)cc1.
What is the InChIKey of 4-amino-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is CMPFYKBYFHCHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-16-7-4-2-6(3-5-7)10-8(12)9(11(14)15)13-17-10/h2-5H,12H2,1H3,(H,14,15).
What are the key properties of 4-amino-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
4-amino-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 82389839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).