1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxypiperidin-4-imine

C15H18N4O2 — CID 86656705

IUPAC1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxypiperidin-4-imine
SMILESCc1nnc(N2CCC(=NOCc3ccccc3)CC2)o1
InChIInChI=1S/C15H18N4O2/c1-12-16-17-15(21-12)19-9-7-14(8-10-19)18-20-11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3
InChIKeyYMHKAKBBTROPSU-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.55
Rot. Bonds4

About 1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxypiperidin-4-imine

1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxypiperidin-4-imine (PubChem CID 86656705) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxypiperidin-4-imine.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxypiperidin-4-imine
PubChem CID86656705
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxypiperidin-4-imine
SMILESCc1nnc(N2CCC(=NOCc3ccccc3)CC2)o1
InChIInChI=1S/C15H18N4O2/c1-12-16-17-15(21-12)19-9-7-14(8-10-19)18-20-11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3
InChIKeyYMHKAKBBTROPSU-UHFFFAOYSA-N
XLogP2.55
TPSA63.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.55
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

1-phenyl-N-[[5-(1-piperidyl)-1,3,4-oxadiazol-2-yl]methoxy]ethanimine
CID 15954159
1-phenyl-N-[2-[5-(1-piperidyl)-1,3,4-oxadiazol-2-yl]ethoxy]ethanimine
CID 15954161
2-(4-Fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-YL)morpholine
CID 72847711
(2R)-2-(4-fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)morpholine
CID 97188854
(2S)-2-(4-fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)morpholine
CID 97188855
2-(2-Fluorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 132357452
2-(3-Fluorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 154757670
benzyl N-{[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl}-N-methylcarbamate
CID 165926884
1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine
CID 123544088
benzyl (3S,4R)-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylate
CID 153366903
benzyl (3S)-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylate
CID 153366912
4-(Benzyloxy)-1-(5-propyl-1,3,4-oxadiazol-2-YL)piperidine
CID 72877676

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxypiperidin-4-imine?
The IUPAC name of 1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxypiperidin-4-imine (CID 86656705) is 1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxypiperidin-4-imine.
What is the SMILES notation for 1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxypiperidin-4-imine?
The canonical SMILES for 1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxypiperidin-4-imine is Cc1nnc(N2CCC(=NOCc3ccccc3)CC2)o1.
What is the InChIKey of 1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxypiperidin-4-imine?
The InChIKey is YMHKAKBBTROPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-12-16-17-15(21-12)19-9-7-14(8-10-19)18-20-11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3.
What are the key properties of 1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxypiperidin-4-imine?
1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxypiperidin-4-imine has a molecular weight of 286.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxypiperidin-4-imine is sourced from PubChem (CID 86656705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).