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

C10H7FN2O3 — CID 70981008

IUPAC5-amino-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid
SMILESNc1onc(-c2cccc(F)c2)c1C(=O)O
InChIInChI=1S/C10H7FN2O3/c11-6-3-1-2-5(4-6)8-7(10(14)15)9(12)16-13-8/h1-4H,12H2,(H,14,15)
InChIKeyGGRIZQBQTGTXRK-UHFFFAOYSA-N
MW222.18 g/mol
LogP1.76
Rot. Bonds2

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

5-amino-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 70981008) has the molecular formula C10H7FN2O3 and a molecular weight of 222.18 g/mol. Its IUPAC name is 5-amino-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid
PubChem CID70981008
Molecular FormulaC10H7FN2O3
Molecular Weight222.18 g/mol
Exact Mass222.04
IUPAC Name5-amino-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid
SMILESNc1onc(-c2cccc(F)c2)c1C(=O)O
InChIInChI=1S/C10H7FN2O3/c11-6-3-1-2-5(4-6)8-7(10(14)15)9(12)16-13-8/h1-4H,12H2,(H,14,15)
InChIKeyGGRIZQBQTGTXRK-UHFFFAOYSA-N
XLogP1.76
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 82387243
5-amino-3-pyrimidin-5-yl-1,2-oxazole-4-carboxylic acid
CID 96617631
2-bromo-1-[3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]ethanone
CID 87370624
3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 69195463
4-(3-fluorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine
CID 43336038
4-(3-fluorophenyl)-1,2,5-oxadiazol-3-amine
CID 62501532
3-(3,5-difluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335733
4-(3,5-difluorophenyl)-3-phenyl-1,2-oxazol-5-amine
CID 61496302
2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylic acid
CID 5127746
1-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]indole-6-carboxylic acid
CID 91186683
4-(3-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43336065
4-chloro-5-(3-fluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 83912649

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-amino-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid (CID 70981008) is 5-amino-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-amino-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid is Nc1onc(-c2cccc(F)c2)c1C(=O)O.
What is the InChIKey of 5-amino-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is GGRIZQBQTGTXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3/c11-6-3-1-2-5(4-6)8-7(10(14)15)9(12)16-13-8/h1-4H,12H2,(H,14,15).
What are the key properties of 5-amino-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid?
5-amino-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 222.18 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 70981008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).