3-[7-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid

C19H14ClN3O3 — CID 70693847

IUPAC3-[7-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid
SMILESO=C(O)CCc1c[nH]c2c(-c3noc(-c4ccc(Cl)cc4)n3)cccc12
InChIInChI=1S/C19H14ClN3O3/c20-13-7-4-11(5-8-13)19-22-18(23-26-19)15-3-1-2-14-12(6-9-16(24)25)10-21-17(14)15/h1-5,7-8,10,21H,6,9H2,(H,24,25)
InChIKeyKWDOWALFHQSDSH-UHFFFAOYSA-N
MW367.79 g/mol
LogP4.56
Rot. Bonds5

About 3-[7-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid

3-[7-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid (PubChem CID 70693847) has the molecular formula C19H14ClN3O3 and a molecular weight of 367.79 g/mol. Its IUPAC name is 3-[7-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[7-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid
PubChem CID70693847
Molecular FormulaC19H14ClN3O3
Molecular Weight367.79 g/mol
Exact Mass367.07
IUPAC Name3-[7-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid
SMILESO=C(O)CCc1c[nH]c2c(-c3noc(-c4ccc(Cl)cc4)n3)cccc12
InChIInChI=1S/C19H14ClN3O3/c20-13-7-4-11(5-8-13)19-22-18(23-26-19)15-3-1-2-14-12(6-9-16(24)25)10-21-17(14)15/h1-5,7-8,10,21H,6,9H2,(H,24,25)
InChIKeyKWDOWALFHQSDSH-UHFFFAOYSA-N
XLogP4.56
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[7-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid?
The IUPAC name of 3-[7-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid (CID 70693847) is 3-[7-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid.
What is the SMILES notation for 3-[7-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid?
The canonical SMILES for 3-[7-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid is O=C(O)CCc1c[nH]c2c(-c3noc(-c4ccc(Cl)cc4)n3)cccc12.
What is the InChIKey of 3-[7-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid?
The InChIKey is KWDOWALFHQSDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3/c20-13-7-4-11(5-8-13)19-22-18(23-26-19)15-3-1-2-14-12(6-9-16(24)25)10-21-17(14)15/h1-5,7-8,10,21H,6,9H2,(H,24,25).
What are the key properties of 3-[7-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid?
3-[7-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid has a molecular weight of 367.79 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid is sourced from PubChem (CID 70693847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).