4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-N-propyloxolan-3-amine

C14H24N4O2 — CID 116807168

IUPAC4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-N-propyloxolan-3-amine
SMILESCCCNC1COCC1c1nc(N2CCCCC2)no1
InChIInChI=1S/C14H24N4O2/c1-2-6-15-12-10-19-9-11(12)13-16-14(17-20-13)18-7-4-3-5-8-18/h11-12,15H,2-10H2,1H3
InChIKeyIUOXDUOVMDYFFW-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.54
Rot. Bonds5

About 4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-N-propyloxolan-3-amine

4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-N-propyloxolan-3-amine (PubChem CID 116807168) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-N-propyloxolan-3-amine.

Molecular Properties

Compound Name4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-N-propyloxolan-3-amine
PubChem CID116807168
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-N-propyloxolan-3-amine
SMILESCCCNC1COCC1c1nc(N2CCCCC2)no1
InChIInChI=1S/C14H24N4O2/c1-2-6-15-12-10-19-9-11(12)13-16-14(17-20-13)18-7-4-3-5-8-18/h11-12,15H,2-10H2,1H3
InChIKeyIUOXDUOVMDYFFW-UHFFFAOYSA-N
XLogP1.54
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-propyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 82007546
N-ethyl-4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 116809201
4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66252490
4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66253458
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66252493
N-propyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66252880
4-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66252881
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66251331
4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66252106
4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66254034
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66253070
N-propyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 136984474

Frequently Asked Questions

What is the IUPAC name of 4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-N-propyloxolan-3-amine?
The IUPAC name of 4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-N-propyloxolan-3-amine (CID 116807168) is 4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-N-propyloxolan-3-amine.
What is the SMILES notation for 4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-N-propyloxolan-3-amine?
The canonical SMILES for 4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-N-propyloxolan-3-amine is CCCNC1COCC1c1nc(N2CCCCC2)no1.
What is the InChIKey of 4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-N-propyloxolan-3-amine?
The InChIKey is IUOXDUOVMDYFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-2-6-15-12-10-19-9-11(12)13-16-14(17-20-13)18-7-4-3-5-8-18/h11-12,15H,2-10H2,1H3.
What are the key properties of 4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-N-propyloxolan-3-amine?
4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-N-propyloxolan-3-amine has a molecular weight of 280.37 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-N-propyloxolan-3-amine is sourced from PubChem (CID 116807168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).