(Z)-N-[[5-[2-(4-bromophenoxy)-3-chlorophenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine

C24H17BrClN7O3 — CID 146276121

About (Z)-N-[[5-[2-(4-bromophenoxy)-3-chlorophenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine

(Z)-N-[[5-[2-(4-bromophenoxy)-3-chlorophenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine (PubChem CID 146276121) has the molecular formula C24H17BrClN7O3 and a molecular weight of 566.80 g/mol. Its IUPAC name is (Z)-N-[[5-[2-(4-bromophenoxy)-3-chlorophenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine.

Molecular Properties

• Compound Name: (Z)-N-[[5-[2-(4-bromophenoxy)-3-chlorophenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine
• PubChem CID: 146276121
• Molecular Formula: C24H17BrClN7O3
• Molecular Weight: 566.80 g/mol
• Exact Mass: 565.03
• IUPAC Name: (Z)-N-[[5-[2-(4-bromophenoxy)-3-chlorophenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine
• SMILES: Cn1nnnc1/C(=N\OCc1nnc(-c2cccc(Cl)c2Oc2ccc(Br)cc2)o1)c1ccccc1
• InChI: InChI=1S/C24H17BrClN7O3/c1-33-23(28-31-32-33)21(15-6-3-2-4-7-15)30-34-14-20-27-29-24(36-20)18-8-5-9-19(26)22(18)35-17-12-10-16(25)11-13-17/h2-13H,14H2,1H3/b30-21-
• InChIKey: KCWNECKPWDRGPA-OFWBYEQRSA-N
• XLogP: 5.44
• TPSA: 113.34 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.80
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[[5-[2-(4-bromophenoxy)-3-chlorophenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine?

The IUPAC name of (Z)-N-[[5-[2-(4-bromophenoxy)-3-chlorophenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine (CID 146276121) is (Z)-N-[[5-[2-(4-bromophenoxy)-3-chlorophenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine.

What is the SMILES notation for (Z)-N-[[5-[2-(4-bromophenoxy)-3-chlorophenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine?

The canonical SMILES for (Z)-N-[[5-[2-(4-bromophenoxy)-3-chlorophenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine is Cn1nnnc1/C(=N\OCc1nnc(-c2cccc(Cl)c2Oc2ccc(Br)cc2)o1)c1ccccc1.

What is the InChIKey of (Z)-N-[[5-[2-(4-bromophenoxy)-3-chlorophenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine?

The InChIKey is KCWNECKPWDRGPA-OFWBYEQRSA-N. The full InChI is InChI=1S/C24H17BrClN7O3/c1-33-23(28-31-32-33)21(15-6-3-2-4-7-15)30-34-14-20-27-29-24(36-20)18-8-5-9-19(26)22(18)35-17-12-10-16(25)11-13-17/h2-13H,14H2,1H3/b30-21-.

What are the key properties of (Z)-N-[[5-[2-(4-bromophenoxy)-3-chlorophenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine?

(Z)-N-[[5-[2-(4-bromophenoxy)-3-chlorophenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine has a molecular weight of 566.80 g/mol, XLogP of 5.44, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-[[5-[2-(4-bromophenoxy)-3-chlorophenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine is sourced from PubChem (CID 146276121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).