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

C14H16N4O2 — CID 15954317

IUPAC5-[[(E)-1-phenylethylideneamino]oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine
SMILESC=CCNc1nnc(CO/N=C(\C)c2ccccc2)o1
InChIInChI=1S/C14H16N4O2/c1-3-9-15-14-17-16-13(20-14)10-19-18-11(2)12-7-5-4-6-8-12/h3-8H,1,9-10H2,2H3,(H,15,17)/b18-11+
InChIKeyYGVRDUMUQWQARW-WOJGMQOQSA-N
MW272.31 g/mol
LogP2.61
Rot. Bonds7

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

5-[[(E)-1-phenylethylideneamino]oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine (PubChem CID 15954317) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-[[(E)-1-phenylethylideneamino]oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[[(E)-1-phenylethylideneamino]oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine
PubChem CID15954317
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name5-[[(E)-1-phenylethylideneamino]oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine
SMILESC=CCNc1nnc(CO/N=C(\C)c2ccccc2)o1
InChIInChI=1S/C14H16N4O2/c1-3-9-15-14-17-16-13(20-14)10-19-18-11(2)12-7-5-4-6-8-12/h3-8H,1,9-10H2,2H3,(H,15,17)/b18-11+
InChIKeyYGVRDUMUQWQARW-WOJGMQOQSA-N
XLogP2.61
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.61
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-allyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine
CID 15953924
5-[[(E)-1-phenylethylideneamino]oxymethyl]-1,3,4-oxadiazol-2-amine
CID 15954155
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-allyl-5-[(benzhydrylideneamino)oxymethyl]-1,3,4-oxadiazol-2-amine
CID 15954316
N-allyl-5-[2-(benzhydrylideneamino)oxyethyl]-1,3,4-oxadiazol-2-amine
CID 15954318
2-{2-[(5-ethyl-1,3,4-oxadiazol-2-yl)amino]ethyl}-6-phenylpyridazin-3(2H)-one
CID 72895935
5-(methoxymethyl)-N-(1-methyl-3-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 137339880
5-[1-(2-methoxyethoxy)ethyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 167770244

Frequently Asked Questions

What is the IUPAC name of 5-[[(E)-1-phenylethylideneamino]oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[[(E)-1-phenylethylideneamino]oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine (CID 15954317) is 5-[[(E)-1-phenylethylideneamino]oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[[(E)-1-phenylethylideneamino]oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[[(E)-1-phenylethylideneamino]oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine is C=CCNc1nnc(CO/N=C(\C)c2ccccc2)o1.
What is the InChIKey of 5-[[(E)-1-phenylethylideneamino]oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine?
The InChIKey is YGVRDUMUQWQARW-WOJGMQOQSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-3-9-15-14-17-16-13(20-14)10-19-18-11(2)12-7-5-4-6-8-12/h3-8H,1,9-10H2,2H3,(H,15,17)/b18-11+.
What are the key properties of 5-[[(E)-1-phenylethylideneamino]oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine?
5-[[(E)-1-phenylethylideneamino]oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine has a molecular weight of 272.31 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(E)-1-phenylethylideneamino]oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 15954317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).