(Z)-N-[[5-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine

C25H20ClN7O4 — CID 146276033

About (Z)-N-[[5-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine

(Z)-N-[[5-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine (PubChem CID 146276033) has the molecular formula C25H20ClN7O4 and a molecular weight of 517.93 g/mol. Its IUPAC name is (Z)-N-[[5-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine.

Molecular Properties

• Compound Name: (Z)-N-[[5-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine
• PubChem CID: 146276033
• Molecular Formula: C25H20ClN7O4
• Molecular Weight: 517.93 g/mol
• Exact Mass: 517.13
• IUPAC Name: (Z)-N-[[5-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine
• SMILES: COc1cccc(Oc2ccc(Cl)cc2-c2nnc(CO/N=C(/c3ccccc3)c3nnnn3C)o2)c1
• InChI: InChI=1S/C25H20ClN7O4/c1-33-24(28-31-32-33)23(16-7-4-3-5-8-16)30-35-15-22-27-29-25(37-22)20-13-17(26)11-12-21(20)36-19-10-6-9-18(14-19)34-2/h3-14H,15H2,1-2H3/b30-23-
• InChIKey: RHMGXPKAQVJYFL-WMMMYUQOSA-N
• XLogP: 4.68
• TPSA: 122.57 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.93
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

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-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine?

The IUPAC name of (Z)-N-[[5-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine (CID 146276033) is (Z)-N-[[5-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine.

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

The canonical SMILES for (Z)-N-[[5-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine is COc1cccc(Oc2ccc(Cl)cc2-c2nnc(CO/N=C(/c3ccccc3)c3nnnn3C)o2)c1.

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

The InChIKey is RHMGXPKAQVJYFL-WMMMYUQOSA-N. The full InChI is InChI=1S/C25H20ClN7O4/c1-33-24(28-31-32-33)23(16-7-4-3-5-8-16)30-35-15-22-27-29-25(37-22)20-13-17(26)11-12-21(20)36-19-10-6-9-18(14-19)34-2/h3-14H,15H2,1-2H3/b30-23-.

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

(Z)-N-[[5-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine has a molecular weight of 517.93 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-[[5-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine is sourced from PubChem (CID 146276033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).