5-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]pentanoic acid

C26H23N3O3 — CID 10224257

IUPAC5-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]pentanoic acid
SMILESO=C(O)CCCCn1cc(-c2nc(Cc3ccc4ccccc4c3)no2)c2ccccc21
InChIInChI=1S/C26H23N3O3/c30-25(31)11-5-6-14-29-17-22(21-9-3-4-10-23(21)29)26-27-24(28-32-26)16-18-12-13-19-7-1-2-8-20(19)15-18/h1-4,7-10,12-13,15,17H,5-6,11,14,16H2,(H,30,31)
InChIKeySMQGVBMMLONICI-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.69
Rot. Bonds8

About 5-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]pentanoic acid

5-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]pentanoic acid (PubChem CID 10224257) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 5-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]pentanoic acid.

Molecular Properties

Compound Name5-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]pentanoic acid
PubChem CID10224257
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name5-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]pentanoic acid
SMILESO=C(O)CCCCn1cc(-c2nc(Cc3ccc4ccccc4c3)no2)c2ccccc21
InChIInChI=1S/C26H23N3O3/c30-25(31)11-5-6-14-29-17-22(21-9-3-4-10-23(21)29)26-27-24(28-32-26)16-18-12-13-19-7-1-2-8-20(19)15-18/h1-4,7-10,12-13,15,17H,5-6,11,14,16H2,(H,30,31)
InChIKeySMQGVBMMLONICI-UHFFFAOYSA-N
XLogP5.69
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]pentanoic acid?
The IUPAC name of 5-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]pentanoic acid (CID 10224257) is 5-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]pentanoic acid.
What is the SMILES notation for 5-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]pentanoic acid?
The canonical SMILES for 5-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]pentanoic acid is O=C(O)CCCCn1cc(-c2nc(Cc3ccc4ccccc4c3)no2)c2ccccc21.
What is the InChIKey of 5-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]pentanoic acid?
The InChIKey is SMQGVBMMLONICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c30-25(31)11-5-6-14-29-17-22(21-9-3-4-10-23(21)29)26-27-24(28-32-26)16-18-12-13-19-7-1-2-8-20(19)15-18/h1-4,7-10,12-13,15,17H,5-6,11,14,16H2,(H,30,31).
What are the key properties of 5-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]pentanoic acid?
5-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]pentanoic acid has a molecular weight of 425.49 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]pentanoic acid is sourced from PubChem (CID 10224257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).