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

C14H10ClN3O — CID 29274687

IUPAC5-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline
SMILESNc1cc(Cl)ccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C14H10ClN3O/c15-10-6-7-11(12(16)8-10)14-17-13(18-19-14)9-4-2-1-3-5-9/h1-8H,16H2
InChIKeyKSCDMIPPJAMZBZ-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.64
Rot. Bonds2

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

5-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 29274687) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 5-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound Name5-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID29274687
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name5-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline
SMILESNc1cc(Cl)ccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C14H10ClN3O/c15-10-6-7-11(12(16)8-10)14-17-13(18-19-14)9-4-2-1-3-5-9/h1-8H,16H2
InChIKeyKSCDMIPPJAMZBZ-UHFFFAOYSA-N
XLogP3.64
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of 5-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline (CID 29274687) is 5-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for 5-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for 5-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline is Nc1cc(Cl)ccc1-c1nc(-c2ccccc2)no1.
What is the InChIKey of 5-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is KSCDMIPPJAMZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-10-6-7-11(12(16)8-10)14-17-13(18-19-14)9-4-2-1-3-5-9/h1-8H,16H2.
What are the key properties of 5-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline?
5-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 271.71 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 29274687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).