(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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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).