4-fluoro-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid

C13H11FN2O5 — CID 43358599

IUPAC4-fluoro-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid
SMILESCc1cc(OCC(=O)Nc2cc(F)ccc2C(=O)O)no1
InChIInChI=1S/C13H11FN2O5/c1-7-4-12(16-21-7)20-6-11(17)15-10-5-8(14)2-3-9(10)13(18)19/h2-5H,6H2,1H3,(H,15,17)(H,18,19)
InChIKeyKRGNCWQYGPMOJQ-UHFFFAOYSA-N
MW294.24 g/mol
LogP1.84
Rot. Bonds5

About 4-fluoro-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid

4-fluoro-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid (PubChem CID 43358599) has the molecular formula C13H11FN2O5 and a molecular weight of 294.24 g/mol. Its IUPAC name is 4-fluoro-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid
PubChem CID43358599
Molecular FormulaC13H11FN2O5
Molecular Weight294.24 g/mol
Exact Mass294.07
IUPAC Name4-fluoro-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid
SMILESCc1cc(OCC(=O)Nc2cc(F)ccc2C(=O)O)no1
InChIInChI=1S/C13H11FN2O5/c1-7-4-12(16-21-7)20-6-11(17)15-10-5-8(14)2-3-9(10)13(18)19/h2-5H,6H2,1H3,(H,15,17)(H,18,19)
InChIKeyKRGNCWQYGPMOJQ-UHFFFAOYSA-N
XLogP1.84
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid with MolForge

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Related Compounds

3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid
CID 43358370
4-fluoro-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
CID 43358600
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(4-propan-2-ylphenyl)acetamide
CID 17396950
4-chloro-2-[[2-(4-fluorophenoxy)acetyl]amino]benzoic acid
CID 2194379
2-[(2-bromoacetyl)amino]-4-fluorobenzoic acid
CID 18929235
4-fluoro-2-[[2-(propan-2-ylamino)acetyl]amino]benzoic acid
CID 61157031
4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzoic acid
CID 100977124
2-(3-aminopropanoylamino)-4-fluorobenzoic acid
CID 61157930
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 30797857
2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]-2-phenylacetic acid
CID 43358417
3-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoic acid
CID 60910796
N-(2-hydroxy-2-methylpropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 65109456

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid?
The IUPAC name of 4-fluoro-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid (CID 43358599) is 4-fluoro-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid?
The canonical SMILES for 4-fluoro-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid is Cc1cc(OCC(=O)Nc2cc(F)ccc2C(=O)O)no1.
What is the InChIKey of 4-fluoro-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid?
The InChIKey is KRGNCWQYGPMOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O5/c1-7-4-12(16-21-7)20-6-11(17)15-10-5-8(14)2-3-9(10)13(18)19/h2-5H,6H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 4-fluoro-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid?
4-fluoro-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid has a molecular weight of 294.24 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid is sourced from PubChem (CID 43358599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).