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

C13H12Cl2N2O3 — CID 60911296

IUPAC5-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]pentanoic acid
SMILESO=C(O)CCCCc1nnc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C13H12Cl2N2O3/c14-9-5-3-4-8(12(9)15)13-17-16-10(20-13)6-1-2-7-11(18)19/h3-5H,1-2,6-7H2,(H,18,19)
InChIKeyDKGZHRYPIDKOBF-UHFFFAOYSA-N
MW315.16 g/mol
LogP3.84
Rot. Bonds6

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

5-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]pentanoic acid (PubChem CID 60911296) has the molecular formula C13H12Cl2N2O3 and a molecular weight of 315.16 g/mol. Its IUPAC name is 5-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]pentanoic acid.

Molecular Properties

Compound Name5-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]pentanoic acid
PubChem CID60911296
Molecular FormulaC13H12Cl2N2O3
Molecular Weight315.16 g/mol
Exact Mass314.02
IUPAC Name5-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]pentanoic acid
SMILESO=C(O)CCCCc1nnc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C13H12Cl2N2O3/c14-9-5-3-4-8(12(9)15)13-17-16-10(20-13)6-1-2-7-11(18)19/h3-5H,1-2,6-7H2,(H,18,19)
InChIKeyDKGZHRYPIDKOBF-UHFFFAOYSA-N
XLogP3.84
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]pentanoic acid?
The IUPAC name of 5-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]pentanoic acid (CID 60911296) is 5-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]pentanoic acid.
What is the SMILES notation for 5-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]pentanoic acid?
The canonical SMILES for 5-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]pentanoic acid is O=C(O)CCCCc1nnc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of 5-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]pentanoic acid?
The InChIKey is DKGZHRYPIDKOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3/c14-9-5-3-4-8(12(9)15)13-17-16-10(20-13)6-1-2-7-11(18)19/h3-5H,1-2,6-7H2,(H,18,19).
What are the key properties of 5-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]pentanoic acid?
5-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]pentanoic acid has a molecular weight of 315.16 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]pentanoic acid is sourced from PubChem (CID 60911296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).