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

C11H9FN2O4 — CID 82087875

IUPAC5-amino-4-(3-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccc(-c2c(C(=O)O)noc2N)cc1F
InChIInChI=1S/C11H9FN2O4/c1-17-7-3-2-5(4-6(7)12)8-9(11(15)16)14-18-10(8)13/h2-4H,13H2,1H3,(H,15,16)
InChIKeyRKVOMISUOQJTBS-UHFFFAOYSA-N
MW252.20 g/mol
LogP1.77
Rot. Bonds3

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

5-amino-4-(3-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 82087875) has the molecular formula C11H9FN2O4 and a molecular weight of 252.20 g/mol. Its IUPAC name is 5-amino-4-(3-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-4-(3-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID82087875
Molecular FormulaC11H9FN2O4
Molecular Weight252.20 g/mol
Exact Mass252.05
IUPAC Name5-amino-4-(3-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccc(-c2c(C(=O)O)noc2N)cc1F
InChIInChI=1S/C11H9FN2O4/c1-17-7-3-2-5(4-6(7)12)8-9(11(15)16)14-18-10(8)13/h2-4H,13H2,1H3,(H,15,16)
InChIKeyRKVOMISUOQJTBS-UHFFFAOYSA-N
XLogP1.77
TPSA98.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(5-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 82092642
4-(3-fluoro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine
CID 82087354
2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953955
4-(4-ethoxy-3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 82486560
4-(3-fluoro-4-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxylic acid
CID 82486252
4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
CID 53226547
4-(4-fluorophenyl)-5-methoxy-1,2-oxazole-3-carboxylic acid
CID 105498756
4-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 82476085
4-(4-methoxy-3-methylphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82079241
4-(difluoromethyl)-2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-5-carboxylic acid
CID 103198823
2-[5-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]acetic acid
CID 82304034
ethyl 5-amino-4-(3,4-dichlorophenyl)-1,2-oxazole-3-carboxylate
CID 91872842

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-amino-4-(3-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid (CID 82087875) is 5-amino-4-(3-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-amino-4-(3-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-amino-4-(3-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid is COc1ccc(-c2c(C(=O)O)noc2N)cc1F.
What is the InChIKey of 5-amino-4-(3-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is RKVOMISUOQJTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O4/c1-17-7-3-2-5(4-6(7)12)8-9(11(15)16)14-18-10(8)13/h2-4H,13H2,1H3,(H,15,16).
What are the key properties of 5-amino-4-(3-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
5-amino-4-(3-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 252.20 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 82087875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).