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2-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-fluorophenoxy]propanoic acid

C16H17FN2O5 — CID 136556585

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-fluorophenoxy]propanoic acid
SMILESCc1noc(C)c1CC(=O)Nc1ccc(OC(C)C(=O)O)c(F)c1
InChIInChI=1S/C16H17FN2O5/c1-8-12(9(2)24-19-8)7-15(20)18-11-4-5-14(13(17)6-11)23-10(3)16(21)22/h4-6,10H,7H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyMDABANROFOCEMF-UHFFFAOYSA-N
MW336.32 g/mol
LogP2.46
Rot. Bonds6

About 2-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-fluorophenoxy]propanoic acid

2-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-fluorophenoxy]propanoic acid (PubChem CID 136556585) has the molecular formula C16H17FN2O5 and a molecular weight of 336.32 g/mol. Its IUPAC name is 2-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-fluorophenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-fluorophenoxy]propanoic acid
PubChem CID136556585
Molecular FormulaC16H17FN2O5
Molecular Weight336.32 g/mol
Exact Mass336.11
IUPAC Name2-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-fluorophenoxy]propanoic acid
SMILESCc1noc(C)c1CC(=O)Nc1ccc(OC(C)C(=O)O)c(F)c1
InChIInChI=1S/C16H17FN2O5/c1-8-12(9(2)24-19-8)7-15(20)18-11-4-5-14(13(17)6-11)23-10(3)16(21)22/h4-6,10H,7H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyMDABANROFOCEMF-UHFFFAOYSA-N
XLogP2.46
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-fluorophenoxy]propanoic acid?
The IUPAC name of 2-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-fluorophenoxy]propanoic acid (CID 136556585) is 2-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-fluorophenoxy]propanoic acid.
What is the SMILES notation for 2-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-fluorophenoxy]propanoic acid?
The canonical SMILES for 2-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-fluorophenoxy]propanoic acid is Cc1noc(C)c1CC(=O)Nc1ccc(OC(C)C(=O)O)c(F)c1.
What is the InChIKey of 2-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-fluorophenoxy]propanoic acid?
The InChIKey is MDABANROFOCEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O5/c1-8-12(9(2)24-19-8)7-15(20)18-11-4-5-14(13(17)6-11)23-10(3)16(21)22/h4-6,10H,7H2,1-3H3,(H,18,20)(H,21,22).
What are the key properties of 2-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-fluorophenoxy]propanoic acid?
2-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-fluorophenoxy]propanoic acid has a molecular weight of 336.32 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-fluorophenoxy]propanoic acid is sourced from PubChem (CID 136556585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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