N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1,1-diphenylmethanimine

C23H19N3O3 — CID 15954166

IUPACN-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1,1-diphenylmethanimine
SMILESc1ccc(OCc2nnc(CON=C(c3ccccc3)c3ccccc3)o2)cc1
InChIInChI=1S/C23H19N3O3/c1-4-10-18(11-5-1)23(19-12-6-2-7-13-19)26-28-17-22-25-24-21(29-22)16-27-20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyGAWLHSZISLTICC-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.62
Rot. Bonds8

About N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1,1-diphenylmethanimine

N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1,1-diphenylmethanimine (PubChem CID 15954166) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1,1-diphenylmethanimine
PubChem CID15954166
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC NameN-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1,1-diphenylmethanimine
SMILESc1ccc(OCc2nnc(CON=C(c3ccccc3)c3ccccc3)o2)cc1
InChIInChI=1S/C23H19N3O3/c1-4-10-18(11-5-1)23(19-12-6-2-7-13-19)26-28-17-22-25-24-21(29-22)16-27-20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyGAWLHSZISLTICC-UHFFFAOYSA-N
XLogP4.62
TPSA69.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

5-[(benzhydrylideneamino)oxymethyl]-N-benzyl-1,3,4-oxadiazol-2-amine
CID 15954172
2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110656017
2-(phenoxymethyl)-5-[6-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]hexyl]-1,3,4-oxadiazole
CID 11259075
2-(benzenesulfonylmethyl)-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110656615
2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110655988
N-(2-phenoxyethoxy)-1-phenyl-1-pyridin-4-ylmethanimine
CID 173361328
2-(phenoxymethyl)-5-(pyridin-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 110656609
N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine
CID 110653522
1-[3-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
CID 110653580
4-chloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 11078012
(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]methyl]prop-2-en-1-amine
CID 110653439

Frequently Asked Questions

What is the IUPAC name of N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1,1-diphenylmethanimine?
The IUPAC name of N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1,1-diphenylmethanimine (CID 15954166) is N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1,1-diphenylmethanimine?
The canonical SMILES for N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1,1-diphenylmethanimine is c1ccc(OCc2nnc(CON=C(c3ccccc3)c3ccccc3)o2)cc1.
What is the InChIKey of N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1,1-diphenylmethanimine?
The InChIKey is GAWLHSZISLTICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-4-10-18(11-5-1)23(19-12-6-2-7-13-19)26-28-17-22-25-24-21(29-22)16-27-20-14-8-3-9-15-20/h1-15H,16-17H2.
What are the key properties of N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1,1-diphenylmethanimine?
N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1,1-diphenylmethanimine has a molecular weight of 385.42 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1,1-diphenylmethanimine is sourced from PubChem (CID 15954166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).