4-(1,2,4-oxadiazol-3-yl)aniline

C8H7N3O — CID 21483704

IUPAC4-(1,2,4-oxadiazol-3-yl)aniline
SMILESNc1ccc(-c2ncon2)cc1
InChIInChI=1S/C8H7N3O/c9-7-3-1-6(2-4-7)8-10-5-12-11-8/h1-5H,9H2
InChIKeyKGUZRMOXECFUGA-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.32
Rot. Bonds1

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

4-(1,2,4-oxadiazol-3-yl)aniline (PubChem CID 21483704) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 4-(1,2,4-oxadiazol-3-yl)aniline.

Molecular Properties

Compound Name4-(1,2,4-oxadiazol-3-yl)aniline
PubChem CID21483704
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name4-(1,2,4-oxadiazol-3-yl)aniline
SMILESNc1ccc(-c2ncon2)cc1
InChIInChI=1S/C8H7N3O/c9-7-3-1-6(2-4-7)8-10-5-12-11-8/h1-5H,9H2
InChIKeyKGUZRMOXECFUGA-UHFFFAOYSA-N
XLogP1.32
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-Tert-butyl-1,2,4-oxadiazol-3-yl)aniline
CID 12056873
3-(3-Nitrophenyl)-1,2,4-oxadiazole
CID 2774286
4-(5-Methyl-1,2,4-oxadiazol-3-yl)aniline
CID 18188176
3-(4-Nitrophenyl)-1,2,4-oxadiazole
CID 2798288
3-Phenyl-1,2,4-oxadiazole
CID 12260139
N1-[3-(1,2,4-oxadiazol-3-yl)phenyl]-2,2-dimethylpropanamide
CID 2739418
4-(5-Ethyl-1,2,4-oxadiazol-3-yl)aniline
CID 11344484
3-(4-Fluorophenyl)-1,2,4-oxadiazole
CID 19046149
Carbamic acid, [4-(1,2,4-oxadiazol-3-yl)phenyl]-, methyl ester
CID 44274409
4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)aniline
CID 43525144
3-[4-(1,2,4-Oxadiazol-3-yl)phenyl]-1-phenylurea
CID 51049471
3-Fluoro-2-(1,2,4-oxadiazol-3-yl)aniline
CID 2804428

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-oxadiazol-3-yl)aniline?
The IUPAC name of 4-(1,2,4-oxadiazol-3-yl)aniline (CID 21483704) is 4-(1,2,4-oxadiazol-3-yl)aniline.
What is the SMILES notation for 4-(1,2,4-oxadiazol-3-yl)aniline?
The canonical SMILES for 4-(1,2,4-oxadiazol-3-yl)aniline is Nc1ccc(-c2ncon2)cc1.
What is the InChIKey of 4-(1,2,4-oxadiazol-3-yl)aniline?
The InChIKey is KGUZRMOXECFUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c9-7-3-1-6(2-4-7)8-10-5-12-11-8/h1-5H,9H2.
What are the key properties of 4-(1,2,4-oxadiazol-3-yl)aniline?
4-(1,2,4-oxadiazol-3-yl)aniline has a molecular weight of 161.16 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-oxadiazol-3-yl)aniline is sourced from PubChem (CID 21483704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).