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

C24H18FN7O3 — CID 146276022

IUPAC(Z)-N-[[5-[4-(2-fluorophenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine
SMILESCn1nnnc1/C(=N\OCc1nnc(-c2ccc(Oc3ccccc3F)cc2)o1)c1ccccc1
InChIInChI=1S/C24H18FN7O3/c1-32-23(27-30-31-32)22(16-7-3-2-4-8-16)29-33-15-21-26-28-24(35-21)17-11-13-18(14-12-17)34-20-10-6-5-9-19(20)25/h2-14H,15H2,1H3/b29-22-
InChIKeyLXIYOAVQZIVQME-IADYIPOJSA-N
MW471.45 g/mol
LogP4.16
Rot. Bonds8

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

(Z)-N-[[5-[4-(2-fluorophenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine (PubChem CID 146276022) has the molecular formula C24H18FN7O3 and a molecular weight of 471.45 g/mol. Its IUPAC name is (Z)-N-[[5-[4-(2-fluorophenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine.

Molecular Properties

Compound Name(Z)-N-[[5-[4-(2-fluorophenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine
PubChem CID146276022
Molecular FormulaC24H18FN7O3
Molecular Weight471.45 g/mol
Exact Mass471.15
IUPAC Name(Z)-N-[[5-[4-(2-fluorophenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine
SMILESCn1nnnc1/C(=N\OCc1nnc(-c2ccc(Oc3ccccc3F)cc2)o1)c1ccccc1
InChIInChI=1S/C24H18FN7O3/c1-32-23(27-30-31-32)22(16-7-3-2-4-8-16)29-33-15-21-26-28-24(35-21)17-11-13-18(14-12-17)34-20-10-6-5-9-19(20)25/h2-14H,15H2,1H3/b29-22-
InChIKeyLXIYOAVQZIVQME-IADYIPOJSA-N
XLogP4.16
TPSA113.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[[5-[5-chloro-2-(2-fluorophenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine
CID 146276044
(Z)-N-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine
CID 155293043
(Z)-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine
CID 155293012
(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
(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
(Z)-N-[[5-[2-(4-bromophenoxy)-3-chlorophenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine
CID 146276121
(Z)-N-[[5-[3-chloro-4-(4-fluorophenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyl-2,3-dihydrotetrazol-5-yl)-1-phenylmethanimine
CID 146275855
N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1,1-diphenylmethanimine
CID 15954166
(E)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methoxy-2-[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxyethanimine
CID 164577635
2-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]isoindole-1,3-dione
CID 87259404
(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
(E)-1-(2-chlorophenyl)-N-methoxy-2-[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxyethanimine
CID 164577638

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[[5-[4-(2-fluorophenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine?
The IUPAC name of (Z)-N-[[5-[4-(2-fluorophenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine (CID 146276022) is (Z)-N-[[5-[4-(2-fluorophenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine.
What is the SMILES notation for (Z)-N-[[5-[4-(2-fluorophenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine?
The canonical SMILES for (Z)-N-[[5-[4-(2-fluorophenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine is Cn1nnnc1/C(=N\OCc1nnc(-c2ccc(Oc3ccccc3F)cc2)o1)c1ccccc1.
What is the InChIKey of (Z)-N-[[5-[4-(2-fluorophenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine?
The InChIKey is LXIYOAVQZIVQME-IADYIPOJSA-N. The full InChI is InChI=1S/C24H18FN7O3/c1-32-23(27-30-31-32)22(16-7-3-2-4-8-16)29-33-15-21-26-28-24(35-21)17-11-13-18(14-12-17)34-20-10-6-5-9-19(20)25/h2-14H,15H2,1H3/b29-22-.
What are the key properties of (Z)-N-[[5-[4-(2-fluorophenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine?
(Z)-N-[[5-[4-(2-fluorophenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine has a molecular weight of 471.45 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[[5-[4-(2-fluorophenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine is sourced from PubChem (CID 146276022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).