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

C17H16N2O4S — CID 75511297

IUPAC3-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]propanoic acid
SMILESCC(Oc1ccc(CCC(=O)O)cc1)c1nc(-c2cccs2)no1
InChIInChI=1S/C17H16N2O4S/c1-11(17-18-16(19-23-17)14-3-2-10-24-14)22-13-7-4-12(5-8-13)6-9-15(20)21/h2-5,7-8,10-11H,6,9H2,1H3,(H,20,21)
InChIKeyNSDMNSNGHATNCO-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.96
Rot. Bonds7

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

3-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]propanoic acid (PubChem CID 75511297) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]propanoic acid
PubChem CID75511297
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name3-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]propanoic acid
SMILESCC(Oc1ccc(CCC(=O)O)cc1)c1nc(-c2cccs2)no1
InChIInChI=1S/C17H16N2O4S/c1-11(17-18-16(19-23-17)14-3-2-10-24-14)22-13-7-4-12(5-8-13)6-9-15(20)21/h2-5,7-8,10-11H,6,9H2,1H3,(H,20,21)
InChIKeyNSDMNSNGHATNCO-UHFFFAOYSA-N
XLogP3.96
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]propanoic acid with MolForge

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Related Compounds

5-(Phenoxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718731
3-(4-Methoxyphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 803048
5-[(5,6,7,8-Tetrahydro-2-naphthalenyloxy)methyl]-3-(2-thienyl)-1,2,4-oxadiazole
CID 2228311
2-Isopropoxy-3-(4-((5-phenyl-1,2,4-oxadiazol-3-yl)methoxy)phenyl)propanoic acid
CID 44316347
3-[4-[[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid
CID 75511301
3-(4-((3-(4-Ethylphenyl)-1,2,4-oxadiazol-5-yl)methoxy)phenyl)propanoic acid
CID 75511310
3-(4-{[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy}phenyl)propanoic acid
CID 86803193
N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 162676758
5-[2-(4-Methoxyphenyl)ethyl]-3-(2-thienyl)-1,2,4-oxadiazole
CID 6458425
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butanamide
CID 91663430
Ethyl 4-{[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methoxy}benzoate
CID 2229716
5-(4-Methoxybenzyl)-3-(2-thienyl)-1,2,4-oxadiazole
CID 4916156

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]propanoic acid?
The IUPAC name of 3-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]propanoic acid (CID 75511297) is 3-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]propanoic acid is CC(Oc1ccc(CCC(=O)O)cc1)c1nc(-c2cccs2)no1.
What is the InChIKey of 3-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]propanoic acid?
The InChIKey is NSDMNSNGHATNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-11(17-18-16(19-23-17)14-3-2-10-24-14)22-13-7-4-12(5-8-13)6-9-15(20)21/h2-5,7-8,10-11H,6,9H2,1H3,(H,20,21).
What are the key properties of 3-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]propanoic acid?
3-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]propanoic acid has a molecular weight of 344.39 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]propanoic acid is sourced from PubChem (CID 75511297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).