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

C18H14ClN7O2 — CID 155293012

IUPAC(Z)-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine
SMILESCn1nnnc1/C(=N\OCc1nnc(-c2cccc(Cl)c2)o1)c1ccccc1
InChIInChI=1S/C18H14ClN7O2/c1-26-17(21-24-25-26)16(12-6-3-2-4-7-12)23-27-11-15-20-22-18(28-15)13-8-5-9-14(19)10-13/h2-10H,11H2,1H3/b23-16-
InChIKeyUSVWTOGYFQVFCC-KQWNVCNZSA-N
MW395.81 g/mol
LogP2.88
Rot. Bonds6

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

(Z)-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine (PubChem CID 155293012) has the molecular formula C18H14ClN7O2 and a molecular weight of 395.81 g/mol. Its IUPAC name is (Z)-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine.

Molecular Properties

Compound Name(Z)-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine
PubChem CID155293012
Molecular FormulaC18H14ClN7O2
Molecular Weight395.81 g/mol
Exact Mass395.09
IUPAC Name(Z)-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine
SMILESCn1nnnc1/C(=N\OCc1nnc(-c2cccc(Cl)c2)o1)c1ccccc1
InChIInChI=1S/C18H14ClN7O2/c1-26-17(21-24-25-26)16(12-6-3-2-4-7-12)23-27-11-15-20-22-18(28-15)13-8-5-9-14(19)10-13/h2-10H,11H2,1H3/b23-16-
InChIKeyUSVWTOGYFQVFCC-KQWNVCNZSA-N
XLogP2.88
TPSA104.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.81
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine
CID 155293043
(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-[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-(2-fluorophenoxy)phenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine
CID 146276022
(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-(3,5-difluorophenoxy)-2-methoxyphenyl]-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine
CID 146276125
N-methyl-6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-amine
CID 59582521
(E)-1-(2-chlorophenyl)-N-methoxy-2-[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxyethanimine
CID 164577638
(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-[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
[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl] N-aminocarbamate
CID 150170848

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine?
The IUPAC name of (Z)-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine (CID 155293012) is (Z)-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine.
What is the SMILES notation for (Z)-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine?
The canonical SMILES for (Z)-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine is Cn1nnnc1/C(=N\OCc1nnc(-c2cccc(Cl)c2)o1)c1ccccc1.
What is the InChIKey of (Z)-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine?
The InChIKey is USVWTOGYFQVFCC-KQWNVCNZSA-N. The full InChI is InChI=1S/C18H14ClN7O2/c1-26-17(21-24-25-26)16(12-6-3-2-4-7-12)23-27-11-15-20-22-18(28-15)13-8-5-9-14(19)10-13/h2-10H,11H2,1H3/b23-16-.
What are the key properties of (Z)-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine?
(Z)-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine has a molecular weight of 395.81 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine is sourced from PubChem (CID 155293012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).