3-(5-amino-1,2-oxazol-3-yl)-4,5-dimethoxybenzoic acid

C12H12N2O5 — CID 117414574

IUPAC3-(5-amino-1,2-oxazol-3-yl)-4,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(-c2cc(N)on2)c1OC
InChIInChI=1S/C12H12N2O5/c1-17-9-4-6(12(15)16)3-7(11(9)18-2)8-5-10(13)19-14-8/h3-5H,13H2,1-2H3,(H,15,16)
InChIKeyRNZLRQMDWATBDX-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.64
Rot. Bonds4

About 3-(5-amino-1,2-oxazol-3-yl)-4,5-dimethoxybenzoic acid

3-(5-amino-1,2-oxazol-3-yl)-4,5-dimethoxybenzoic acid (PubChem CID 117414574) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 3-(5-amino-1,2-oxazol-3-yl)-4,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name3-(5-amino-1,2-oxazol-3-yl)-4,5-dimethoxybenzoic acid
PubChem CID117414574
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name3-(5-amino-1,2-oxazol-3-yl)-4,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(-c2cc(N)on2)c1OC
InChIInChI=1S/C12H12N2O5/c1-17-9-4-6(12(15)16)3-7(11(9)18-2)8-5-10(13)19-14-8/h3-5H,13H2,1-2H3,(H,15,16)
InChIKeyRNZLRQMDWATBDX-UHFFFAOYSA-N
XLogP1.64
TPSA107.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-chloro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389651
3-(5-amino-1,2-oxazol-3-yl)-4,5-dimethylbenzoic acid
CID 117336048
3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 117373551
5-(5-amino-1,2-oxazol-3-yl)-4-hydroxy-2-methoxybenzoic acid
CID 136998089
3-(2,3-dimethoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411970
3-(2-aminophenyl)-4,5-dimethoxybenzoic acid
CID 82038920
3-(3-bromo-2,5-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117498171
3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1,2-oxazole-5-carboxylic acid
CID 117482106
5-(5-amino-1,2-oxazol-3-yl)-2-hydroxy-3-methoxybenzoic acid
CID 136998086
3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117498173
3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 3407261
3-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117454226

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1,2-oxazol-3-yl)-4,5-dimethoxybenzoic acid?
The IUPAC name of 3-(5-amino-1,2-oxazol-3-yl)-4,5-dimethoxybenzoic acid (CID 117414574) is 3-(5-amino-1,2-oxazol-3-yl)-4,5-dimethoxybenzoic acid.
What is the SMILES notation for 3-(5-amino-1,2-oxazol-3-yl)-4,5-dimethoxybenzoic acid?
The canonical SMILES for 3-(5-amino-1,2-oxazol-3-yl)-4,5-dimethoxybenzoic acid is COc1cc(C(=O)O)cc(-c2cc(N)on2)c1OC.
What is the InChIKey of 3-(5-amino-1,2-oxazol-3-yl)-4,5-dimethoxybenzoic acid?
The InChIKey is RNZLRQMDWATBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5/c1-17-9-4-6(12(15)16)3-7(11(9)18-2)8-5-10(13)19-14-8/h3-5H,13H2,1-2H3,(H,15,16).
What are the key properties of 3-(5-amino-1,2-oxazol-3-yl)-4,5-dimethoxybenzoic acid?
3-(5-amino-1,2-oxazol-3-yl)-4,5-dimethoxybenzoic acid has a molecular weight of 264.24 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1,2-oxazol-3-yl)-4,5-dimethoxybenzoic acid is sourced from PubChem (CID 117414574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).