2-fluoro-6-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid

C12H10FN3O4 — CID 106421055

IUPAC2-fluoro-6-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid
SMILESO=C(NCc1ccno1)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C12H10FN3O4/c13-8-2-1-3-9(10(8)11(17)18)16-12(19)14-6-7-4-5-15-20-7/h1-5H,6H2,(H,17,18)(H2,14,16,19)
InChIKeyYQHNFKOPXOLKJX-UHFFFAOYSA-N
MW279.23 g/mol
LogP1.83
Rot. Bonds4

About 2-fluoro-6-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid

2-fluoro-6-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid (PubChem CID 106421055) has the molecular formula C12H10FN3O4 and a molecular weight of 279.23 g/mol. Its IUPAC name is 2-fluoro-6-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid
PubChem CID106421055
Molecular FormulaC12H10FN3O4
Molecular Weight279.23 g/mol
Exact Mass279.07
IUPAC Name2-fluoro-6-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid
SMILESO=C(NCc1ccno1)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C12H10FN3O4/c13-8-2-1-3-9(10(8)11(17)18)16-12(19)14-6-7-4-5-15-20-7/h1-5H,6H2,(H,17,18)(H2,14,16,19)
InChIKeyYQHNFKOPXOLKJX-UHFFFAOYSA-N
XLogP1.83
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid?
The IUPAC name of 2-fluoro-6-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid (CID 106421055) is 2-fluoro-6-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid.
What is the SMILES notation for 2-fluoro-6-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid?
The canonical SMILES for 2-fluoro-6-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid is O=C(NCc1ccno1)Nc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-fluoro-6-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid?
The InChIKey is YQHNFKOPXOLKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O4/c13-8-2-1-3-9(10(8)11(17)18)16-12(19)14-6-7-4-5-15-20-7/h1-5H,6H2,(H,17,18)(H2,14,16,19).
What are the key properties of 2-fluoro-6-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid?
2-fluoro-6-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid has a molecular weight of 279.23 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid is sourced from PubChem (CID 106421055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).