5-[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]-1,3,4-oxadiazol-2-amine

C15H11ClIN3O2 — CID 91681993

IUPAC5-[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc(OCc3ccccc3Cl)c(I)c2)o1
InChIInChI=1S/C15H11ClIN3O2/c16-11-4-2-1-3-10(11)8-21-13-6-5-9(7-12(13)17)14-19-20-15(18)22-14/h1-7H,8H2,(H2,18,20)
InChIKeyRQGGYUCJSKHAHV-UHFFFAOYSA-N
MW427.63 g/mol
LogP4.16
Rot. Bonds4

About 5-[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]-1,3,4-oxadiazol-2-amine

5-[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 91681993) has the molecular formula C15H11ClIN3O2 and a molecular weight of 427.63 g/mol. Its IUPAC name is 5-[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]-1,3,4-oxadiazol-2-amine
PubChem CID91681993
Molecular FormulaC15H11ClIN3O2
Molecular Weight427.63 g/mol
Exact Mass426.96
IUPAC Name5-[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc(OCc3ccccc3Cl)c(I)c2)o1
InChIInChI=1S/C15H11ClIN3O2/c16-11-4-2-1-3-10(11)8-21-13-6-5-9(7-12(13)17)14-19-20-15(18)22-14/h1-7H,8H2,(H2,18,20)
InChIKeyRQGGYUCJSKHAHV-UHFFFAOYSA-N
XLogP4.16
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.63
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]-1,3,4-oxadiazol-2-amine 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-[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]-1,3,4-oxadiazol-2-amine (CID 91681993) is 5-[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2ccc(OCc3ccccc3Cl)c(I)c2)o1.
What is the InChIKey of 5-[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is RQGGYUCJSKHAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClIN3O2/c16-11-4-2-1-3-10(11)8-21-13-6-5-9(7-12(13)17)14-19-20-15(18)22-14/h1-7H,8H2,(H2,18,20).
What are the key properties of 5-[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]-1,3,4-oxadiazol-2-amine?
5-[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 427.63 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 91681993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).