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

C16H11BrClN3O2 — CID 7702211

IUPAC(Z)-1-(4-bromophenyl)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine
SMILESClc1ccc(-c2nnc(CO/N=C\c3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C16H11BrClN3O2/c17-13-5-1-11(2-6-13)9-19-22-10-15-20-21-16(23-15)12-3-7-14(18)8-4-12/h1-9H,10H2/b19-9-
InChIKeyMSLVKDFIRAUYCC-OCKHKDLRSA-N
MW392.64 g/mol
LogP4.70
Rot. Bonds5

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

(Z)-1-(4-bromophenyl)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine (PubChem CID 7702211) has the molecular formula C16H11BrClN3O2 and a molecular weight of 392.64 g/mol. Its IUPAC name is (Z)-1-(4-bromophenyl)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine.

Molecular Properties

Compound Name(Z)-1-(4-bromophenyl)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine
PubChem CID7702211
Molecular FormulaC16H11BrClN3O2
Molecular Weight392.64 g/mol
Exact Mass390.97
IUPAC Name(Z)-1-(4-bromophenyl)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine
SMILESClc1ccc(-c2nnc(CO/N=C\c3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C16H11BrClN3O2/c17-13-5-1-11(2-6-13)9-19-22-10-15-20-21-16(23-15)12-3-7-14(18)8-4-12/h1-9H,10H2/b19-9-
InChIKeyMSLVKDFIRAUYCC-OCKHKDLRSA-N
XLogP4.70
TPSA60.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.64
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(E)-1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethoxy]methanimine
CID 10712295
N-[(4-bromophenyl)methoxy]-1-(4-chlorophenyl)methanimine
CID 73380524
(E)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine
CID 16605634
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxyimino]propanedinitrile
CID 155067944
(Z)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-1-phenylmethanimine
CID 9353710
[5-bromo-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanol
CID 7701791
[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methanethiol
CID 82160182
4-chloro-N'-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzenecarboximidamide
CID 24608900
4-bromo-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319786
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate
CID 8014044
2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 39347323
2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 18859382

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-bromophenyl)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine?
The IUPAC name of (Z)-1-(4-bromophenyl)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine (CID 7702211) is (Z)-1-(4-bromophenyl)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine.
What is the SMILES notation for (Z)-1-(4-bromophenyl)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine?
The canonical SMILES for (Z)-1-(4-bromophenyl)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine is Clc1ccc(-c2nnc(CO/N=C\c3ccc(Br)cc3)o2)cc1.
What is the InChIKey of (Z)-1-(4-bromophenyl)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine?
The InChIKey is MSLVKDFIRAUYCC-OCKHKDLRSA-N. The full InChI is InChI=1S/C16H11BrClN3O2/c17-13-5-1-11(2-6-13)9-19-22-10-15-20-21-16(23-15)12-3-7-14(18)8-4-12/h1-9H,10H2/b19-9-.
What are the key properties of (Z)-1-(4-bromophenyl)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine?
(Z)-1-(4-bromophenyl)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine has a molecular weight of 392.64 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-bromophenyl)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine is sourced from PubChem (CID 7702211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).