5-[2-[N-[2-[5-(4-chloroanilino)-1,3,4-oxadiazol-2-yl]ethyl]anilino]ethyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine

C26H23Cl2N7O2 — CID 132525384

IUPAC5-[2-[N-[2-[5-(4-chloroanilino)-1,3,4-oxadiazol-2-yl]ethyl]anilino]ethyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(Nc2nnc(CCN(CCc3nnc(Nc4ccc(Cl)cc4)o3)c3ccccc3)o2)cc1
InChIInChI=1S/C26H23Cl2N7O2/c27-18-6-10-20(11-7-18)29-25-33-31-23(36-25)14-16-35(22-4-2-1-3-5-22)17-15-24-32-34-26(37-24)30-21-12-8-19(28)9-13-21/h1-13H,14-17H2,(H,29,33)(H,30,34)
InChIKeyBVRUPYDLHBBICV-UHFFFAOYSA-N
MW536.42 g/mol
LogP6.54
Rot. Bonds11

About 5-[2-[N-[2-[5-(4-chloroanilino)-1,3,4-oxadiazol-2-yl]ethyl]anilino]ethyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine

5-[2-[N-[2-[5-(4-chloroanilino)-1,3,4-oxadiazol-2-yl]ethyl]anilino]ethyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 132525384) has the molecular formula C26H23Cl2N7O2 and a molecular weight of 536.42 g/mol. Its IUPAC name is 5-[2-[N-[2-[5-(4-chloroanilino)-1,3,4-oxadiazol-2-yl]ethyl]anilino]ethyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[2-[N-[2-[5-(4-chloroanilino)-1,3,4-oxadiazol-2-yl]ethyl]anilino]ethyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID132525384
Molecular FormulaC26H23Cl2N7O2
Molecular Weight536.42 g/mol
Exact Mass535.13
IUPAC Name5-[2-[N-[2-[5-(4-chloroanilino)-1,3,4-oxadiazol-2-yl]ethyl]anilino]ethyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(Nc2nnc(CCN(CCc3nnc(Nc4ccc(Cl)cc4)o3)c3ccccc3)o2)cc1
InChIInChI=1S/C26H23Cl2N7O2/c27-18-6-10-20(11-7-18)29-25-33-31-23(36-25)14-16-35(22-4-2-1-3-5-22)17-15-24-32-34-26(37-24)30-21-12-8-19(28)9-13-21/h1-13H,14-17H2,(H,29,33)(H,30,34)
InChIKeyBVRUPYDLHBBICV-UHFFFAOYSA-N
XLogP6.54
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.42
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[2-[N-[2-[5-(4-chloroanilino)-1,3,4-oxadiazol-2-yl]ethyl]anilino]ethyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[N-[2-[5-(4-chloroanilino)-1,3,4-oxadiazol-2-yl]ethyl]anilino]ethyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[2-[N-[2-[5-(4-chloroanilino)-1,3,4-oxadiazol-2-yl]ethyl]anilino]ethyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine (CID 132525384) is 5-[2-[N-[2-[5-(4-chloroanilino)-1,3,4-oxadiazol-2-yl]ethyl]anilino]ethyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[2-[N-[2-[5-(4-chloroanilino)-1,3,4-oxadiazol-2-yl]ethyl]anilino]ethyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[2-[N-[2-[5-(4-chloroanilino)-1,3,4-oxadiazol-2-yl]ethyl]anilino]ethyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine is Clc1ccc(Nc2nnc(CCN(CCc3nnc(Nc4ccc(Cl)cc4)o3)c3ccccc3)o2)cc1.
What is the InChIKey of 5-[2-[N-[2-[5-(4-chloroanilino)-1,3,4-oxadiazol-2-yl]ethyl]anilino]ethyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is BVRUPYDLHBBICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N7O2/c27-18-6-10-20(11-7-18)29-25-33-31-23(36-25)14-16-35(22-4-2-1-3-5-22)17-15-24-32-34-26(37-24)30-21-12-8-19(28)9-13-21/h1-13H,14-17H2,(H,29,33)(H,30,34).
What are the key properties of 5-[2-[N-[2-[5-(4-chloroanilino)-1,3,4-oxadiazol-2-yl]ethyl]anilino]ethyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine?
5-[2-[N-[2-[5-(4-chloroanilino)-1,3,4-oxadiazol-2-yl]ethyl]anilino]ethyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 536.42 g/mol, XLogP of 6.54, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[N-[2-[5-(4-chloroanilino)-1,3,4-oxadiazol-2-yl]ethyl]anilino]ethyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 132525384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).