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

C25H19F2N7O4 — CID 146276125

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

(Z)-N-[[5-[4-(3,5-difluorophenoxy)-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine (PubChem CID 146276125) has the molecular formula C25H19F2N7O4 and a molecular weight of 519.47 g/mol. Its IUPAC name is (Z)-N-[[5-[4-(3,5-difluorophenoxy)-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine.

Molecular Properties

• Compound Name: (Z)-N-[[5-[4-(3,5-difluorophenoxy)-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine
• PubChem CID: 146276125
• Molecular Formula: C25H19F2N7O4
• Molecular Weight: 519.47 g/mol
• Exact Mass: 519.15
• IUPAC Name: (Z)-N-[[5-[4-(3,5-difluorophenoxy)-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine
• SMILES: COc1cc(Oc2cc(F)cc(F)c2)ccc1-c1nnc(CO/N=C(/c2ccccc2)c2nnnn2C)o1
• InChI: InChI=1S/C25H19F2N7O4/c1-34-24(29-32-33-34)23(15-6-4-3-5-7-15)31-36-14-22-28-30-25(38-22)20-9-8-18(13-21(20)35-2)37-19-11-16(26)10-17(27)12-19/h3-13H,14H2,1-2H3/b31-23-
• InChIKey: FLWPYHIPEYAJQD-SXBRIOAWSA-N
• XLogP: 4.31
• TPSA: 122.57 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.47
LogP ≤ 5	4.31
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-[4-(3,5-difluorophenoxy)-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine?

The IUPAC name of (Z)-N-[[5-[4-(3,5-difluorophenoxy)-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine (CID 146276125) is (Z)-N-[[5-[4-(3,5-difluorophenoxy)-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine.

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

The canonical SMILES for (Z)-N-[[5-[4-(3,5-difluorophenoxy)-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine is COc1cc(Oc2cc(F)cc(F)c2)ccc1-c1nnc(CO/N=C(/c2ccccc2)c2nnnn2C)o1.

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

The InChIKey is FLWPYHIPEYAJQD-SXBRIOAWSA-N. The full InChI is InChI=1S/C25H19F2N7O4/c1-34-24(29-32-33-34)23(15-6-4-3-5-7-15)31-36-14-22-28-30-25(38-22)20-9-8-18(13-21(20)35-2)37-19-11-16(26)10-17(27)12-19/h3-13H,14H2,1-2H3/b31-23-.

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

(Z)-N-[[5-[4-(3,5-difluorophenoxy)-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine has a molecular weight of 519.47 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-[[5-[4-(3,5-difluorophenoxy)-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine is sourced from PubChem (CID 146276125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).