(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(3,4-dichlorophenyl)methanamine

C12H11Cl2N3O — CID 43559726

IUPAC(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(3,4-dichlorophenyl)methanamine
SMILESNC(c1ccc(Cl)c(Cl)c1)c1noc(C2CC2)n1
InChIInChI=1S/C12H11Cl2N3O/c13-8-4-3-7(5-9(8)14)10(15)11-16-12(18-17-11)6-1-2-6/h3-6,10H,1-2,15H2
InChIKeyKRVJKQHCFFKKAW-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.30
Rot. Bonds3

About (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(3,4-dichlorophenyl)methanamine

(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(3,4-dichlorophenyl)methanamine (PubChem CID 43559726) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(3,4-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(3,4-dichlorophenyl)methanamine
PubChem CID43559726
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(3,4-dichlorophenyl)methanamine
SMILESNC(c1ccc(Cl)c(Cl)c1)c1noc(C2CC2)n1
InChIInChI=1S/C12H11Cl2N3O/c13-8-4-3-7(5-9(8)14)10(15)11-16-12(18-17-11)6-1-2-6/h3-6,10H,1-2,15H2
InChIKeyKRVJKQHCFFKKAW-UHFFFAOYSA-N
XLogP3.30
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(3,4-dichlorophenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(3,4-dichlorophenyl)methanamine?
The IUPAC name of (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(3,4-dichlorophenyl)methanamine (CID 43559726) is (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(3,4-dichlorophenyl)methanamine.
What is the SMILES notation for (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(3,4-dichlorophenyl)methanamine?
The canonical SMILES for (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(3,4-dichlorophenyl)methanamine is NC(c1ccc(Cl)c(Cl)c1)c1noc(C2CC2)n1.
What is the InChIKey of (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(3,4-dichlorophenyl)methanamine?
The InChIKey is KRVJKQHCFFKKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c13-8-4-3-7(5-9(8)14)10(15)11-16-12(18-17-11)6-1-2-6/h3-6,10H,1-2,15H2.
What are the key properties of (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(3,4-dichlorophenyl)methanamine?
(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(3,4-dichlorophenyl)methanamine has a molecular weight of 284.15 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(3,4-dichlorophenyl)methanamine is sourced from PubChem (CID 43559726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).