5-(2-amino-4-fluoro-3-prop-1-en-2-ylphenyl)-1,2-oxazole-3-carboxylic acid

C13H11FN2O3 — CID 142107606

IUPAC5-(2-amino-4-fluoro-3-prop-1-en-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESC=C(C)c1c(F)ccc(-c2cc(C(=O)O)no2)c1N
InChIInChI=1S/C13H11FN2O3/c1-6(2)11-8(14)4-3-7(12(11)15)10-5-9(13(17)18)16-19-10/h3-5H,1,15H2,2H3,(H,17,18)
InChIKeyZXRSMDJVVXCFMN-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.79
Rot. Bonds3

About 5-(2-amino-4-fluoro-3-prop-1-en-2-ylphenyl)-1,2-oxazole-3-carboxylic acid

5-(2-amino-4-fluoro-3-prop-1-en-2-ylphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 142107606) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 5-(2-amino-4-fluoro-3-prop-1-en-2-ylphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-amino-4-fluoro-3-prop-1-en-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID142107606
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name5-(2-amino-4-fluoro-3-prop-1-en-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESC=C(C)c1c(F)ccc(-c2cc(C(=O)O)no2)c1N
InChIInChI=1S/C13H11FN2O3/c1-6(2)11-8(14)4-3-7(12(11)15)10-5-9(13(17)18)16-19-10/h3-5H,1,15H2,2H3,(H,17,18)
InChIKeyZXRSMDJVVXCFMN-UHFFFAOYSA-N
XLogP2.79
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 83810758
5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117350000
5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)-1,2-oxazole-3-carboxylic acid
CID 117416541
5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117315177
5-(5-ethyl-2,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117385140
5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117391990
5-(2-bromo-4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117487454
5-(2,3-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117349990
5-(3-fluoro-4-pyridinyl)-1,2-oxazole-3-carboxylic acid
CID 131555755
5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386909
5-[2-(dimethylamino)-4-fluorophenyl]-1,2-oxazole-3-carboxylic acid
CID 115111231
5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117345967

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-fluoro-3-prop-1-en-2-ylphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2-amino-4-fluoro-3-prop-1-en-2-ylphenyl)-1,2-oxazole-3-carboxylic acid (CID 142107606) is 5-(2-amino-4-fluoro-3-prop-1-en-2-ylphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-amino-4-fluoro-3-prop-1-en-2-ylphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2-amino-4-fluoro-3-prop-1-en-2-ylphenyl)-1,2-oxazole-3-carboxylic acid is C=C(C)c1c(F)ccc(-c2cc(C(=O)O)no2)c1N.
What is the InChIKey of 5-(2-amino-4-fluoro-3-prop-1-en-2-ylphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is ZXRSMDJVVXCFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-6(2)11-8(14)4-3-7(12(11)15)10-5-9(13(17)18)16-19-10/h3-5H,1,15H2,2H3,(H,17,18).
What are the key properties of 5-(2-amino-4-fluoro-3-prop-1-en-2-ylphenyl)-1,2-oxazole-3-carboxylic acid?
5-(2-amino-4-fluoro-3-prop-1-en-2-ylphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 262.24 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-fluoro-3-prop-1-en-2-ylphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 142107606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).