5-[4-[3-(2-chloropyrimidin-5-yl)oxypropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

C17H24ClN5O2 — CID 86662939

IUPAC5-[4-[3-(2-chloropyrimidin-5-yl)oxypropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(CCCOc3cnc(Cl)nc3)CC2)n1
InChIInChI=1S/C17H24ClN5O2/c1-12(2)15-21-17(25-22-15)23-7-5-13(6-8-23)4-3-9-24-14-10-19-16(18)20-11-14/h10-13H,3-9H2,1-2H3
InChIKeyOAHFOHZJYXLFGX-UHFFFAOYSA-N
MW365.87 g/mol
LogP3.71
Rot. Bonds7

About 5-[4-[3-(2-chloropyrimidin-5-yl)oxypropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[4-[3-(2-chloropyrimidin-5-yl)oxypropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 86662939) has the molecular formula C17H24ClN5O2 and a molecular weight of 365.87 g/mol. Its IUPAC name is 5-[4-[3-(2-chloropyrimidin-5-yl)oxypropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[3-(2-chloropyrimidin-5-yl)oxypropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID86662939
Molecular FormulaC17H24ClN5O2
Molecular Weight365.87 g/mol
Exact Mass365.16
IUPAC Name5-[4-[3-(2-chloropyrimidin-5-yl)oxypropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(CCCOc3cnc(Cl)nc3)CC2)n1
InChIInChI=1S/C17H24ClN5O2/c1-12(2)15-21-17(25-22-15)23-7-5-13(6-8-23)4-3-9-24-14-10-19-16(18)20-11-14/h10-13H,3-9H2,1-2H3
InChIKeyOAHFOHZJYXLFGX-UHFFFAOYSA-N
XLogP3.71
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(2-chloropyrimidin-5-yl)oxypropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[3-(2-chloropyrimidin-5-yl)oxypropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 86662939) is 5-[4-[3-(2-chloropyrimidin-5-yl)oxypropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[3-(2-chloropyrimidin-5-yl)oxypropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[3-(2-chloropyrimidin-5-yl)oxypropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(N2CCC(CCCOc3cnc(Cl)nc3)CC2)n1.
What is the InChIKey of 5-[4-[3-(2-chloropyrimidin-5-yl)oxypropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is OAHFOHZJYXLFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN5O2/c1-12(2)15-21-17(25-22-15)23-7-5-13(6-8-23)4-3-9-24-14-10-19-16(18)20-11-14/h10-13H,3-9H2,1-2H3.
What are the key properties of 5-[4-[3-(2-chloropyrimidin-5-yl)oxypropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[4-[3-(2-chloropyrimidin-5-yl)oxypropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 365.87 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(2-chloropyrimidin-5-yl)oxypropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 86662939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).