2,3-difluoro-4-(1,2-oxazol-5-ylmethylamino)benzoic acid

C11H8F2N2O3 — CID 106419123

IUPAC2,3-difluoro-4-(1,2-oxazol-5-ylmethylamino)benzoic acid
SMILESO=C(O)c1ccc(NCc2ccno2)c(F)c1F
InChIInChI=1S/C11H8F2N2O3/c12-9-7(11(16)17)1-2-8(10(9)13)14-5-6-3-4-15-18-6/h1-4,14H,5H2,(H,16,17)
InChIKeyICPHFLCFXKWFAZ-UHFFFAOYSA-N
MW254.19 g/mol
LogP2.26
Rot. Bonds4

About 2,3-difluoro-4-(1,2-oxazol-5-ylmethylamino)benzoic acid

2,3-difluoro-4-(1,2-oxazol-5-ylmethylamino)benzoic acid (PubChem CID 106419123) has the molecular formula C11H8F2N2O3 and a molecular weight of 254.19 g/mol. Its IUPAC name is 2,3-difluoro-4-(1,2-oxazol-5-ylmethylamino)benzoic acid.

Molecular Properties

Compound Name2,3-difluoro-4-(1,2-oxazol-5-ylmethylamino)benzoic acid
PubChem CID106419123
Molecular FormulaC11H8F2N2O3
Molecular Weight254.19 g/mol
Exact Mass254.05
IUPAC Name2,3-difluoro-4-(1,2-oxazol-5-ylmethylamino)benzoic acid
SMILESO=C(O)c1ccc(NCc2ccno2)c(F)c1F
InChIInChI=1S/C11H8F2N2O3/c12-9-7(11(16)17)1-2-8(10(9)13)14-5-6-3-4-15-18-6/h1-4,14H,5H2,(H,16,17)
InChIKeyICPHFLCFXKWFAZ-UHFFFAOYSA-N
XLogP2.26
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(1,2-oxazol-5-ylmethylamino)benzoic acid
CID 106423276
2,3-difluoro-4-(furan-2-ylmethylamino)benzoic acid
CID 79837782
2-methyl-4-(1,2-oxazol-5-ylmethylamino)benzoic acid
CID 106419253
2-amino-5-(1,2-oxazol-5-ylmethylamino)benzoic acid
CID 106422640
5-fluoro-2-(1,2-oxazol-5-ylmethylamino)pyridine-3-carboxylic acid
CID 106419255
4-[[4-(aminomethyl)phenyl]methylamino]-2,3-difluorobenzoic acid
CID 81093298
4-[(5-ethylthiophen-2-yl)methylamino]-2,3-difluorobenzoic acid
CID 106006335
4-[(5-bromothiophen-2-yl)methylamino]-2,3-difluorobenzoic acid
CID 79838569
2,3-difluoro-4-(1H-imidazol-5-ylmethylamino)benzoic acid
CID 79840872
2-bromo-6-(1,2-oxazol-5-ylmethylamino)benzoic acid
CID 106423289
2,3-difluoro-4-[(3-fluorophenyl)methylamino]benzoic acid
CID 79837694
2,3-difluoro-4-[(6-methyl-2-pyridinyl)methylamino]benzoic acid
CID 79838578

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(1,2-oxazol-5-ylmethylamino)benzoic acid?
The IUPAC name of 2,3-difluoro-4-(1,2-oxazol-5-ylmethylamino)benzoic acid (CID 106419123) is 2,3-difluoro-4-(1,2-oxazol-5-ylmethylamino)benzoic acid.
What is the SMILES notation for 2,3-difluoro-4-(1,2-oxazol-5-ylmethylamino)benzoic acid?
The canonical SMILES for 2,3-difluoro-4-(1,2-oxazol-5-ylmethylamino)benzoic acid is O=C(O)c1ccc(NCc2ccno2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-(1,2-oxazol-5-ylmethylamino)benzoic acid?
The InChIKey is ICPHFLCFXKWFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O3/c12-9-7(11(16)17)1-2-8(10(9)13)14-5-6-3-4-15-18-6/h1-4,14H,5H2,(H,16,17).
What are the key properties of 2,3-difluoro-4-(1,2-oxazol-5-ylmethylamino)benzoic acid?
2,3-difluoro-4-(1,2-oxazol-5-ylmethylamino)benzoic acid has a molecular weight of 254.19 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(1,2-oxazol-5-ylmethylamino)benzoic acid is sourced from PubChem (CID 106419123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).