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

C15H15FN2O5 — CID 136556563

IUPAC2-[2-fluoro-4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenoxy]propanoic acid
SMILESCc1cc(CC(=O)Nc2ccc(OC(C)C(=O)O)c(F)c2)no1
InChIInChI=1S/C15H15FN2O5/c1-8-5-11(18-23-8)7-14(19)17-10-3-4-13(12(16)6-10)22-9(2)15(20)21/h3-6,9H,7H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyNUMBNSUXFIZBHV-UHFFFAOYSA-N
MW322.29 g/mol
LogP2.16
Rot. Bonds6

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

2-[2-fluoro-4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenoxy]propanoic acid (PubChem CID 136556563) has the molecular formula C15H15FN2O5 and a molecular weight of 322.29 g/mol. Its IUPAC name is 2-[2-fluoro-4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenoxy]propanoic acid
PubChem CID136556563
Molecular FormulaC15H15FN2O5
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC Name2-[2-fluoro-4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenoxy]propanoic acid
SMILESCc1cc(CC(=O)Nc2ccc(OC(C)C(=O)O)c(F)c2)no1
InChIInChI=1S/C15H15FN2O5/c1-8-5-11(18-23-8)7-14(19)17-10-3-4-13(12(16)6-10)22-9(2)15(20)21/h3-6,9H,7H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyNUMBNSUXFIZBHV-UHFFFAOYSA-N
XLogP2.16
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-fluorophenoxy]propanoic acid
CID 136556585
N-(3,4-difluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110428961
(2R)-2-methyl-3-[4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]propanoic acid
CID 129401481
N-(4-chlorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 68647812
2-(5-methyl-1,2-oxazol-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 110425586
2-[4-[(2,2-difluoro-1-methylcyclopropanecarbonyl)amino]-2-fluorophenoxy]propanoic acid
CID 136556558
N-(4-bromophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110421673
2-(5-methyl-1,2-oxazol-3-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]acetamide
CID 124505289
2-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)acetamide
CID 110417275
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110427091
methyl 3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]benzoate
CID 110424177
2-(5-methyl-1,2-oxazol-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
CID 110608265

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenoxy]propanoic acid?
The IUPAC name of 2-[2-fluoro-4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenoxy]propanoic acid (CID 136556563) is 2-[2-fluoro-4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenoxy]propanoic acid.
What is the SMILES notation for 2-[2-fluoro-4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenoxy]propanoic acid?
The canonical SMILES for 2-[2-fluoro-4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenoxy]propanoic acid is Cc1cc(CC(=O)Nc2ccc(OC(C)C(=O)O)c(F)c2)no1.
What is the InChIKey of 2-[2-fluoro-4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenoxy]propanoic acid?
The InChIKey is NUMBNSUXFIZBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O5/c1-8-5-11(18-23-8)7-14(19)17-10-3-4-13(12(16)6-10)22-9(2)15(20)21/h3-6,9H,7H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-[2-fluoro-4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenoxy]propanoic acid?
2-[2-fluoro-4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenoxy]propanoic acid has a molecular weight of 322.29 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenoxy]propanoic acid is sourced from PubChem (CID 136556563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).