5-(1-cyclopropylpiperidin-4-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole

C18H21F2N3O2 — CID 126808451

IUPAC5-(1-cyclopropylpiperidin-4-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole
SMILESFC(F)Oc1ccccc1Cc1noc(C2CCN(C3CC3)CC2)n1
InChIInChI=1S/C18H21F2N3O2/c19-18(20)24-15-4-2-1-3-13(15)11-16-21-17(25-22-16)12-7-9-23(10-8-12)14-5-6-14/h1-4,12,14,18H,5-11H2
InChIKeyDREPMTORLLJUSV-UHFFFAOYSA-N
MW349.38 g/mol
LogP3.60
Rot. Bonds6

About 5-(1-cyclopropylpiperidin-4-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole

5-(1-cyclopropylpiperidin-4-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole (PubChem CID 126808451) has the molecular formula C18H21F2N3O2 and a molecular weight of 349.38 g/mol. Its IUPAC name is 5-(1-cyclopropylpiperidin-4-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-cyclopropylpiperidin-4-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole
PubChem CID126808451
Molecular FormulaC18H21F2N3O2
Molecular Weight349.38 g/mol
Exact Mass349.16
IUPAC Name5-(1-cyclopropylpiperidin-4-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole
SMILESFC(F)Oc1ccccc1Cc1noc(C2CCN(C3CC3)CC2)n1
InChIInChI=1S/C18H21F2N3O2/c19-18(20)24-15-4-2-1-3-13(15)11-16-21-17(25-22-16)12-7-9-23(10-8-12)14-5-6-14/h1-4,12,14,18H,5-11H2
InChIKeyDREPMTORLLJUSV-UHFFFAOYSA-N
XLogP3.60
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylpiperidin-4-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1-cyclopropylpiperidin-4-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole (CID 126808451) is 5-(1-cyclopropylpiperidin-4-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-cyclopropylpiperidin-4-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-cyclopropylpiperidin-4-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole is FC(F)Oc1ccccc1Cc1noc(C2CCN(C3CC3)CC2)n1.
What is the InChIKey of 5-(1-cyclopropylpiperidin-4-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole?
The InChIKey is DREPMTORLLJUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O2/c19-18(20)24-15-4-2-1-3-13(15)11-16-21-17(25-22-16)12-7-9-23(10-8-12)14-5-6-14/h1-4,12,14,18H,5-11H2.
What are the key properties of 5-(1-cyclopropylpiperidin-4-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole?
5-(1-cyclopropylpiperidin-4-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole has a molecular weight of 349.38 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylpiperidin-4-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 126808451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).