5-[(benzhydrylideneamino)oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine

C19H18N4O2 — CID 15954316

IUPAC5-[(benzhydrylideneamino)oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine
SMILESC=CCNc1nnc(CON=C(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C19H18N4O2/c1-2-13-20-19-22-21-17(25-19)14-24-23-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12H,1,13-14H2,(H,20,22)
InChIKeyYJHSWWYXQOGABW-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.64
Rot. Bonds8

About 5-[(benzhydrylideneamino)oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine

5-[(benzhydrylideneamino)oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine (PubChem CID 15954316) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-[(benzhydrylideneamino)oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(benzhydrylideneamino)oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine
PubChem CID15954316
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name5-[(benzhydrylideneamino)oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine
SMILESC=CCNc1nnc(CON=C(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C19H18N4O2/c1-2-13-20-19-22-21-17(25-19)14-24-23-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12H,1,13-14H2,(H,20,22)
InChIKeyYJHSWWYXQOGABW-UHFFFAOYSA-N
XLogP3.64
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-morpholino-1,3,4-oxadiazol-2-yl)methoxy]-1-phenyl-ethanimine
CID 15953920
N-[(5-morpholino-1,3,4-oxadiazol-2-yl)methoxy]-1,1-diphenyl-methanimine
CID 15953921
N-allyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine
CID 15953924
5-[(Benzhydrylideneamino)oxymethyl]-1,3,4-oxadiazol-2-amine
CID 15954154
1,1-diphenyl-N-[[5-(1-piperidyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine
CID 15954158
1-phenyl-N-[[5-(1-piperidyl)-1,3,4-oxadiazol-2-yl]methoxy]ethanimine
CID 15954159
5-[(benzhydrylideneamino)oxymethyl]-N-benzyl-1,3,4-oxadiazol-2-amine
CID 15954172
N-benzyl-5-[[(E)-1-phenylethylideneamino]oxymethyl]-1,3,4-oxadiazol-2-amine
CID 15954310
N-benzyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine
CID 15954312
N-allyl-5-[[(E)-1-phenylethylideneamino]oxymethyl]-1,3,4-oxadiazol-2-amine
CID 15954317
N-allyl-5-[2-(benzhydrylideneamino)oxyethyl]-1,3,4-oxadiazol-2-amine
CID 15954318
5-(methoxymethyl)-N-(1-methyl-3-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 137339880

Frequently Asked Questions

What is the IUPAC name of 5-[(benzhydrylideneamino)oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(benzhydrylideneamino)oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine (CID 15954316) is 5-[(benzhydrylideneamino)oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(benzhydrylideneamino)oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(benzhydrylideneamino)oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine is C=CCNc1nnc(CON=C(c2ccccc2)c2ccccc2)o1.
What is the InChIKey of 5-[(benzhydrylideneamino)oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine?
The InChIKey is YJHSWWYXQOGABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-2-13-20-19-22-21-17(25-19)14-24-23-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12H,1,13-14H2,(H,20,22).
What are the key properties of 5-[(benzhydrylideneamino)oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine?
5-[(benzhydrylideneamino)oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine has a molecular weight of 334.38 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(benzhydrylideneamino)oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 15954316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).