(E)-1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethoxy]methanimine

C18H16ClN3O2 — CID 10712295

IUPAC(E)-1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethoxy]methanimine
SMILESCc1ccc(-c2nnc(CCO/N=C/c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C18H16ClN3O2/c1-13-2-6-15(7-3-13)18-22-21-17(24-18)10-11-23-20-12-14-4-8-16(19)9-5-14/h2-9,12H,10-11H2,1H3/b20-12+
InChIKeyYJPKTSBVVRNXON-UDWIEESQSA-N
MW341.80 g/mol
LogP4.29
Rot. Bonds6

About (E)-1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethoxy]methanimine

(E)-1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethoxy]methanimine (PubChem CID 10712295) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethoxy]methanimine.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethoxy]methanimine
PubChem CID10712295
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name(E)-1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethoxy]methanimine
SMILESCc1ccc(-c2nnc(CCO/N=C/c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C18H16ClN3O2/c1-13-2-6-15(7-3-13)18-22-21-17(24-18)10-11-23-20-12-14-4-8-16(19)9-5-14/h2-9,12H,10-11H2,1H3/b20-12+
InChIKeyYJPKTSBVVRNXON-UDWIEESQSA-N
XLogP4.29
TPSA60.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethoxy]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-1-(4-bromophenyl)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine
CID 7702211
2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 39347323
(4-chlorophenyl) 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 134049813
(E)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine
CID 16605634
1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]methanesulfonamide
CID 110321497
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110321691
1-(4-chlorophenyl)-3-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]urea
CID 110321438
2-[2-(2-chloro-5-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110656079
2-(4-methylphenyl)-5-nonyl-1,3,4-oxadiazole
CID 102384865
N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 52906306
2-(4-chlorophenyl)-5-(dimethoxyphosphorylmethyl)-1,3,4-oxadiazole
CID 176515688
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4-dimethylaniline
CID 110652448

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethoxy]methanimine?
The IUPAC name of (E)-1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethoxy]methanimine (CID 10712295) is (E)-1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethoxy]methanimine.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethoxy]methanimine?
The canonical SMILES for (E)-1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethoxy]methanimine is Cc1ccc(-c2nnc(CCO/N=C/c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethoxy]methanimine?
The InChIKey is YJPKTSBVVRNXON-UDWIEESQSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-13-2-6-15(7-3-13)18-22-21-17(24-18)10-11-23-20-12-14-4-8-16(19)9-5-14/h2-9,12H,10-11H2,1H3/b20-12+.
What are the key properties of (E)-1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethoxy]methanimine?
(E)-1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethoxy]methanimine has a molecular weight of 341.80 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethoxy]methanimine is sourced from PubChem (CID 10712295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).