5-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]pentanoic acid

C14H18N2O3S — CID 60911299

IUPAC5-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]pentanoic acid
SMILESO=C(O)CCCCc1nnc(CCCc2cccs2)o1
InChIInChI=1S/C14H18N2O3S/c17-14(18)9-2-1-7-12-15-16-13(19-12)8-3-5-11-6-4-10-20-11/h4,6,10H,1-3,5,7-9H2,(H,17,18)
InChIKeyJMNVDGAGWYZSPR-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.10
Rot. Bonds9

About 5-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]pentanoic acid

5-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]pentanoic acid (PubChem CID 60911299) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]pentanoic acid.

Molecular Properties

Compound Name5-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]pentanoic acid
PubChem CID60911299
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name5-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]pentanoic acid
SMILESO=C(O)CCCCc1nnc(CCCc2cccs2)o1
InChIInChI=1S/C14H18N2O3S/c17-14(18)9-2-1-7-12-15-16-13(19-12)8-3-5-11-6-4-10-20-11/h4,6,10H,1-3,5,7-9H2,(H,17,18)
InChIKeyJMNVDGAGWYZSPR-UHFFFAOYSA-N
XLogP3.10
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.10
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-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]pentanoic acid?
The IUPAC name of 5-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]pentanoic acid (CID 60911299) is 5-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]pentanoic acid.
What is the SMILES notation for 5-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]pentanoic acid?
The canonical SMILES for 5-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]pentanoic acid is O=C(O)CCCCc1nnc(CCCc2cccs2)o1.
What is the InChIKey of 5-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]pentanoic acid?
The InChIKey is JMNVDGAGWYZSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c17-14(18)9-2-1-7-12-15-16-13(19-12)8-3-5-11-6-4-10-20-11/h4,6,10H,1-3,5,7-9H2,(H,17,18).
What are the key properties of 5-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]pentanoic acid?
5-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]pentanoic acid has a molecular weight of 294.38 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]pentanoic acid is sourced from PubChem (CID 60911299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).