5-(4-methoxypyrrolidin-2-yl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole

C16H19N3O2 — CID 63080887

IUPAC5-(4-methoxypyrrolidin-2-yl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole
SMILESCOC1CNC(c2nc(C3(c4ccccc4)CC3)no2)C1
InChIInChI=1S/C16H19N3O2/c1-20-12-9-13(17-10-12)14-18-15(19-21-14)16(7-8-16)11-5-3-2-4-6-11/h2-6,12-13,17H,7-10H2,1H3
InChIKeyLIBGQPVTAYXQTB-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.20
Rot. Bonds4

About 5-(4-methoxypyrrolidin-2-yl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole

5-(4-methoxypyrrolidin-2-yl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole (PubChem CID 63080887) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-(4-methoxypyrrolidin-2-yl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methoxypyrrolidin-2-yl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole
PubChem CID63080887
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-(4-methoxypyrrolidin-2-yl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole
SMILESCOC1CNC(c2nc(C3(c4ccccc4)CC3)no2)C1
InChIInChI=1S/C16H19N3O2/c1-20-12-9-13(17-10-12)14-18-15(19-21-14)16(7-8-16)11-5-3-2-4-6-11/h2-6,12-13,17H,7-10H2,1H3
InChIKeyLIBGQPVTAYXQTB-UHFFFAOYSA-N
XLogP2.20
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxypyrrolidin-2-yl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methoxypyrrolidin-2-yl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole (CID 63080887) is 5-(4-methoxypyrrolidin-2-yl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methoxypyrrolidin-2-yl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methoxypyrrolidin-2-yl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole is COC1CNC(c2nc(C3(c4ccccc4)CC3)no2)C1.
What is the InChIKey of 5-(4-methoxypyrrolidin-2-yl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole?
The InChIKey is LIBGQPVTAYXQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-20-12-9-13(17-10-12)14-18-15(19-21-14)16(7-8-16)11-5-3-2-4-6-11/h2-6,12-13,17H,7-10H2,1H3.
What are the key properties of 5-(4-methoxypyrrolidin-2-yl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole?
5-(4-methoxypyrrolidin-2-yl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole has a molecular weight of 285.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxypyrrolidin-2-yl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63080887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).