5-ethyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,3,4-oxadiazol-2-amine

C17H24N4O — CID 72937354

IUPAC5-ethyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(NCCN2CCC(c3ccccc3)CC2)o1
InChIInChI=1S/C17H24N4O/c1-2-16-19-20-17(22-16)18-10-13-21-11-8-15(9-12-21)14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,18,20)
InChIKeySKEWHSQXSPOWDR-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.92
Rot. Bonds6

About 5-ethyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,3,4-oxadiazol-2-amine

5-ethyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 72937354) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 5-ethyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID72937354
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name5-ethyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(NCCN2CCC(c3ccccc3)CC2)o1
InChIInChI=1S/C17H24N4O/c1-2-16-19-20-17(22-16)18-10-13-21-11-8-15(9-12-21)14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,18,20)
InChIKeySKEWHSQXSPOWDR-UHFFFAOYSA-N
XLogP2.92
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-Ethyl-1,3,4-oxadiazol-2-YL)-1-(2-phenylethyl)piperazin-2-one
CID 72872341
1-(3,4-difluorobenzyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-amine
CID 72908302
N-[(3-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 84596433
4-(5-isopropyl-1,3,4-oxadiazol-2-yl)-N-(3-phenylpropyl)piperidine-1-carboxamide
CID 44067509
2-Methyl-N-{2-phenyl-1-[5-(piperidin-1-YL)-1,3,4-oxadiazol-2-YL]ethyl}propanamide
CID 53159464
(4-Benzylpiperidin-1-yl)-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
CID 172447875
3-methyl-N-[(1S)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]butanamide
CID 95099510
4-(5-amino-1,3,4-oxadiazol-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-1-carboxamide
CID 126841034
5-benzyl-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
CID 136551614
N-[(3R,4S)-3-benzyl-1-methylpiperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine
CID 164639420
2-[2-(2-Fluorophenyl)ethyl]-5-piperazin-1-yl-1,3,4-oxadiazole
CID 28808932
2-[2-(3-Fluorophenyl)ethyl]-5-piperazin-1-yl-1,3,4-oxadiazole
CID 28808934

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-ethyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,3,4-oxadiazol-2-amine (CID 72937354) is 5-ethyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,3,4-oxadiazol-2-amine is CCc1nnc(NCCN2CCC(c3ccccc3)CC2)o1.
What is the InChIKey of 5-ethyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is SKEWHSQXSPOWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-2-16-19-20-17(22-16)18-10-13-21-11-8-15(9-12-21)14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,18,20).
What are the key properties of 5-ethyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,3,4-oxadiazol-2-amine?
5-ethyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 300.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72937354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).