3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propanoic acid

C16H14N2O4S — CID 75511308

IUPAC3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCc2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C16H14N2O4S/c19-15(20)8-5-11-3-6-12(7-4-11)21-10-14-17-16(18-22-14)13-2-1-9-23-13/h1-4,6-7,9H,5,8,10H2,(H,19,20)
InChIKeyNYRBPTWGHWAQCV-UHFFFAOYSA-N
MW330.37 g/mol
LogP3.39
Rot. Bonds7

About 3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propanoic acid

3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propanoic acid (PubChem CID 75511308) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propanoic acid
PubChem CID75511308
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCc2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C16H14N2O4S/c19-15(20)8-5-11-3-6-12(7-4-11)21-10-14-17-16(18-22-14)13-2-1-9-23-13/h1-4,6-7,9H,5,8,10H2,(H,19,20)
InChIKeyNYRBPTWGHWAQCV-UHFFFAOYSA-N
XLogP3.39
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propanoic acid (CID 75511308) is 3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propanoic acid is O=C(O)CCc1ccc(OCc2nc(-c3cccs3)no2)cc1.
What is the InChIKey of 3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propanoic acid?
The InChIKey is NYRBPTWGHWAQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c19-15(20)8-5-11-3-6-12(7-4-11)21-10-14-17-16(18-22-14)13-2-1-9-23-13/h1-4,6-7,9H,5,8,10H2,(H,19,20).
What are the key properties of 3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propanoic acid?
3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propanoic acid has a molecular weight of 330.37 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 75511308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).