5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

C13H9ClN4O — CID 63260076

IUPAC5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cn1
InChIInChI=1S/C13H9ClN4O/c14-10-4-1-8(2-5-10)12-17-13(19-18-12)9-3-6-11(15)16-7-9/h1-7H,(H2,15,16)
InChIKeyPFVGLVCWHBHICY-UHFFFAOYSA-N
MW272.70 g/mol
LogP3.03
Rot. Bonds2

About 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 63260076) has the molecular formula C13H9ClN4O and a molecular weight of 272.70 g/mol. Its IUPAC name is 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID63260076
Molecular FormulaC13H9ClN4O
Molecular Weight272.70 g/mol
Exact Mass272.05
IUPAC Name5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cn1
InChIInChI=1S/C13H9ClN4O/c14-10-4-1-8(2-5-10)12-17-13(19-18-12)9-3-6-11(15)16-7-9/h1-7H,(H2,15,16)
InChIKeyPFVGLVCWHBHICY-UHFFFAOYSA-N
XLogP3.03
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63259997
5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63259948
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 60836564
5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63259901
5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 750618
5-(6-chloro-3-pyridinyl)-3-phenyl-1,2,4-oxadiazole
CID 20594130
3,6-dichloro-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107050440
2-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 43665687
5-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63259812
5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 55257340
4-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525094
5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 17370674

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 63260076) is 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cn1.
What is the InChIKey of 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is PFVGLVCWHBHICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O/c14-10-4-1-8(2-5-10)12-17-13(19-18-12)9-3-6-11(15)16-7-9/h1-7H,(H2,15,16).
What are the key properties of 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 272.70 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 63260076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).