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

C14H10ClN3O — CID 63663266

IUPAC3-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
SMILESNc1cccc(Cl)c1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C14H10ClN3O/c15-10-7-4-8-11(16)12(10)14-18-17-13(19-14)9-5-2-1-3-6-9/h1-8H,16H2
InChIKeyMLDMYSBRNZPJOD-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.64
Rot. Bonds2

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

3-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 63663266) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 3-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound Name3-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID63663266
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name3-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
SMILESNc1cccc(Cl)c1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C14H10ClN3O/c15-10-7-4-8-11(16)12(10)14-18-17-13(19-14)9-5-2-1-3-6-9/h1-8H,16H2
InChIKeyMLDMYSBRNZPJOD-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 3-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of 3-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline (CID 63663266) is 3-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for 3-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for 3-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline is Nc1cccc(Cl)c1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of 3-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is MLDMYSBRNZPJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-10-7-4-8-11(16)12(10)14-18-17-13(19-14)9-5-2-1-3-6-9/h1-8H,16H2.
What are the key properties of 3-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
3-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-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 3-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 63663266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).