3,5-dichloro-4-[1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline

C18H15Cl2N3O — CID 134180144

IUPAC3,5-dichloro-4-[1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline
SMILESCc1ccc(-c2nc(C3(c4c(Cl)cc(N)cc4Cl)CC3)no2)cc1
InChIInChI=1S/C18H15Cl2N3O/c1-10-2-4-11(5-3-10)16-22-17(23-24-16)18(6-7-18)15-13(19)8-12(21)9-14(15)20/h2-5,8-9H,6-7,21H2,1H3
InChIKeyKQTDLRWIAJAZBB-UHFFFAOYSA-N
MW360.24 g/mol
LogP5.01
Rot. Bonds3

About 3,5-dichloro-4-[1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline

3,5-dichloro-4-[1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline (PubChem CID 134180144) has the molecular formula C18H15Cl2N3O and a molecular weight of 360.24 g/mol. Its IUPAC name is 3,5-dichloro-4-[1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline.

Molecular Properties

Compound Name3,5-dichloro-4-[1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline
PubChem CID134180144
Molecular FormulaC18H15Cl2N3O
Molecular Weight360.24 g/mol
Exact Mass359.06
IUPAC Name3,5-dichloro-4-[1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline
SMILESCc1ccc(-c2nc(C3(c4c(Cl)cc(N)cc4Cl)CC3)no2)cc1
InChIInChI=1S/C18H15Cl2N3O/c1-10-2-4-11(5-3-10)16-22-17(23-24-16)18(6-7-18)15-13(19)8-12(21)9-14(15)20/h2-5,8-9H,6-7,21H2,1H3
InChIKeyKQTDLRWIAJAZBB-UHFFFAOYSA-N
XLogP5.01
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.24
LogP ≤ 55.01
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 3,5-dichloro-4-[1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline?
The IUPAC name of 3,5-dichloro-4-[1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline (CID 134180144) is 3,5-dichloro-4-[1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline.
What is the SMILES notation for 3,5-dichloro-4-[1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline?
The canonical SMILES for 3,5-dichloro-4-[1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline is Cc1ccc(-c2nc(C3(c4c(Cl)cc(N)cc4Cl)CC3)no2)cc1.
What is the InChIKey of 3,5-dichloro-4-[1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline?
The InChIKey is KQTDLRWIAJAZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O/c1-10-2-4-11(5-3-10)16-22-17(23-24-16)18(6-7-18)15-13(19)8-12(21)9-14(15)20/h2-5,8-9H,6-7,21H2,1H3.
What are the key properties of 3,5-dichloro-4-[1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline?
3,5-dichloro-4-[1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline has a molecular weight of 360.24 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline is sourced from PubChem (CID 134180144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).