(Z)-N-[[5-[5-(4-bromophenoxy)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(6-methylcyclohexa-1,3-dien-1-yl)-1-(1-methyltetrazol-5-yl)methanimine

C24H21BrN8O3 — CID 146276181

About (Z)-N-[[5-[5-(4-bromophenoxy)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(6-methylcyclohexa-1,3-dien-1-yl)-1-(1-methyltetrazol-5-yl)methanimine

(Z)-N-[[5-[5-(4-bromophenoxy)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(6-methylcyclohexa-1,3-dien-1-yl)-1-(1-methyltetrazol-5-yl)methanimine (PubChem CID 146276181) has the molecular formula C24H21BrN8O3 and a molecular weight of 549.39 g/mol. Its IUPAC name is (Z)-N-[[5-[5-(4-bromophenoxy)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(6-methylcyclohexa-1,3-dien-1-yl)-1-(1-methyltetrazol-5-yl)methanimine.

Molecular Properties

• Compound Name: (Z)-N-[[5-[5-(4-bromophenoxy)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(6-methylcyclohexa-1,3-dien-1-yl)-1-(1-methyltetrazol-5-yl)methanimine
• PubChem CID: 146276181
• Molecular Formula: C24H21BrN8O3
• Molecular Weight: 549.39 g/mol
• Exact Mass: 548.09
• IUPAC Name: (Z)-N-[[5-[5-(4-bromophenoxy)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(6-methylcyclohexa-1,3-dien-1-yl)-1-(1-methyltetrazol-5-yl)methanimine
• SMILES: CC1CC=CC=C1/C(=N/OCc1nnc(-c2ccc(Oc3ccc(Br)cc3)cn2)o1)c1nnnn1C
• InChI: InChI=1S/C24H21BrN8O3/c1-15-5-3-4-6-19(15)22(23-28-31-32-33(23)2)30-34-14-21-27-29-24(36-21)20-12-11-18(13-26-20)35-17-9-7-16(25)8-10-17/h3-4,6-13,15H,5,14H2,1-2H3/b30-22-
• InChIKey: NFQVBULZKDCXRM-SWKFRHMKSA-N
• XLogP: 4.65
• TPSA: 126.23 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.39
LogP ≤ 5	4.65
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-(4-bromophenoxy)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(6-methylcyclohexa-1,3-dien-1-yl)-1-(1-methyltetrazol-5-yl)methanimine?

The IUPAC name of (Z)-N-[[5-[5-(4-bromophenoxy)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(6-methylcyclohexa-1,3-dien-1-yl)-1-(1-methyltetrazol-5-yl)methanimine (CID 146276181) is (Z)-N-[[5-[5-(4-bromophenoxy)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(6-methylcyclohexa-1,3-dien-1-yl)-1-(1-methyltetrazol-5-yl)methanimine.

What is the SMILES notation for (Z)-N-[[5-[5-(4-bromophenoxy)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(6-methylcyclohexa-1,3-dien-1-yl)-1-(1-methyltetrazol-5-yl)methanimine?

The canonical SMILES for (Z)-N-[[5-[5-(4-bromophenoxy)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(6-methylcyclohexa-1,3-dien-1-yl)-1-(1-methyltetrazol-5-yl)methanimine is CC1CC=CC=C1/C(=N/OCc1nnc(-c2ccc(Oc3ccc(Br)cc3)cn2)o1)c1nnnn1C.

What is the InChIKey of (Z)-N-[[5-[5-(4-bromophenoxy)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(6-methylcyclohexa-1,3-dien-1-yl)-1-(1-methyltetrazol-5-yl)methanimine?

The InChIKey is NFQVBULZKDCXRM-SWKFRHMKSA-N. The full InChI is InChI=1S/C24H21BrN8O3/c1-15-5-3-4-6-19(15)22(23-28-31-32-33(23)2)30-34-14-21-27-29-24(36-21)20-12-11-18(13-26-20)35-17-9-7-16(25)8-10-17/h3-4,6-13,15H,5,14H2,1-2H3/b30-22-.

What are the key properties of (Z)-N-[[5-[5-(4-bromophenoxy)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(6-methylcyclohexa-1,3-dien-1-yl)-1-(1-methyltetrazol-5-yl)methanimine?

(Z)-N-[[5-[5-(4-bromophenoxy)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(6-methylcyclohexa-1,3-dien-1-yl)-1-(1-methyltetrazol-5-yl)methanimine has a molecular weight of 549.39 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-[[5-[5-(4-bromophenoxy)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(6-methylcyclohexa-1,3-dien-1-yl)-1-(1-methyltetrazol-5-yl)methanimine is sourced from PubChem (CID 146276181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).