(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

C24H19ClFN7O3 — CID 146275855

IUPAC(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
SMILESCN1NNN=C1/C(=N\OCc1nnc(-c2ccc(Oc3ccc(F)cc3)c(Cl)c2)o1)c1ccccc1
InChIInChI=1S/C24H19ClFN7O3/c1-33-23(28-31-32-33)22(15-5-3-2-4-6-15)30-34-14-21-27-29-24(36-21)16-7-12-20(19(25)13-16)35-18-10-8-17(26)9-11-18/h2-13,31-32H,14H2,1H3/b30-22-
InChIKeyKAACGBAAWTZHKF-SWKFRHMKSA-N
MW507.91 g/mol
LogP4.51
Rot. Bonds8

About (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

(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 (PubChem CID 146275855) has the molecular formula C24H19ClFN7O3 and a molecular weight of 507.91 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID146275855
Molecular FormulaC24H19ClFN7O3
Molecular Weight507.91 g/mol
Exact Mass507.12
IUPAC Name(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
SMILESCN1NNN=C1/C(=N\OCc1nnc(-c2ccc(Oc3ccc(F)cc3)c(Cl)c2)o1)c1ccccc1
InChIInChI=1S/C24H19ClFN7O3/c1-33-23(28-31-32-33)22(15-5-3-2-4-6-15)30-34-14-21-27-29-24(36-21)16-7-12-20(19(25)13-16)35-18-10-8-17(26)9-11-18/h2-13,31-32H,14H2,1H3/b30-22-
InChIKeyKAACGBAAWTZHKF-SWKFRHMKSA-N
XLogP4.51
TPSA109.40 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.91
LogP ≤ 54.51
H-Bond Donors ≤ 52
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'}

Analyze (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 with MolForge

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Related Compounds

(Z)-N-[[5-[4-(2-fluorophenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine
CID 146276022
(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-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine
CID 155293012
2-[4-(2,4-dichlorophenoxy)phenyl]-5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 155805409
(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-[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-[2-(4-bromophenoxy)-3-chlorophenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine
CID 146276121
(Z)-N-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine
CID 155293043
N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1,1-diphenylmethanimine
CID 15954166
4-chloro-N'-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzenecarboximidamide
CID 24608900
2-[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 82134188
[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82129884

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CN1NNN=C1/C(=N\OCc1nnc(-c2ccc(Oc3ccc(F)cc3)c(Cl)c2)o1)c1ccccc1.
What is the InChIKey of (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?
The InChIKey is KAACGBAAWTZHKF-SWKFRHMKSA-N. The full InChI is InChI=1S/C24H19ClFN7O3/c1-33-23(28-31-32-33)22(15-5-3-2-4-6-15)30-34-14-21-27-29-24(36-21)16-7-12-20(19(25)13-16)35-18-10-8-17(26)9-11-18/h2-13,31-32H,14H2,1H3/b30-22-.
What are the key properties of (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?
(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 has a molecular weight of 507.91 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 146275855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).