5-chloro-2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline

C13H15ClN4O — CID 98022078

IUPAC5-chloro-2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline
SMILESNc1cc(Cl)ccc1-c1nnc(N2CCCCC2)o1
InChIInChI=1S/C13H15ClN4O/c14-9-4-5-10(11(15)8-9)12-16-17-13(19-12)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7,15H2
InChIKeyBKZHNFBTQGQIBQ-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.96
Rot. Bonds2

About 5-chloro-2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline

5-chloro-2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 98022078) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 5-chloro-2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound Name5-chloro-2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID98022078
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name5-chloro-2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline
SMILESNc1cc(Cl)ccc1-c1nnc(N2CCCCC2)o1
InChIInChI=1S/C13H15ClN4O/c14-9-4-5-10(11(15)8-9)12-16-17-13(19-12)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7,15H2
InChIKeyBKZHNFBTQGQIBQ-UHFFFAOYSA-N
XLogP2.96
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of 5-chloro-2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline (CID 98022078) is 5-chloro-2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for 5-chloro-2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for 5-chloro-2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline is Nc1cc(Cl)ccc1-c1nnc(N2CCCCC2)o1.
What is the InChIKey of 5-chloro-2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is BKZHNFBTQGQIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c14-9-4-5-10(11(15)8-9)12-16-17-13(19-12)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7,15H2.
What are the key properties of 5-chloro-2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline?
5-chloro-2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 278.74 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 98022078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).