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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Related Compounds

2-bromo-6-(1,2-oxazol-5-ylmethylamino)benzoic acid
CID 106423289
2-fluoro-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]benzoic acid
CID 106382884
4-methoxy-3-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid
CID 106421198
3-fluoro-2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106423060
2-(butan-2-ylcarbamoylamino)-6-fluorobenzoic acid
CID 61187180
2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106420098
2-fluoro-6-(1,2,4-triazin-3-ylcarbamoylamino)benzoic acid
CID 114388573
2-fluoro-6-(1,3-thiazol-2-ylcarbamoylamino)benzoic acid
CID 61187315
2-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600341
4-(1,2-oxazol-5-ylmethylcarbamoyl)benzoic acid
CID 106422079
N-(1,2-oxazol-5-ylmethyl)acetamide
CID 103939766
2-fluoro-6-(pyridin-4-ylmethylamino)benzoic acid
CID 58989809

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).