5-(oxolan-2-yl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazole

C16H21N5O3 — CID 91836994

IUPAC5-(oxolan-2-yl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1cnc(OC2CCN(Cc3noc(C4CCCO4)n3)CC2)nc1
InChIInChI=1S/C16H21N5O3/c1-3-13(22-10-1)15-19-14(20-24-15)11-21-8-4-12(5-9-21)23-16-17-6-2-7-18-16/h2,6-7,12-13H,1,3-5,8-11H2
InChIKeyLECUDOPJKRAAKH-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.75
Rot. Bonds5

About 5-(oxolan-2-yl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazole

5-(oxolan-2-yl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 91836994) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-(oxolan-2-yl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(oxolan-2-yl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID91836994
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name5-(oxolan-2-yl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1cnc(OC2CCN(Cc3noc(C4CCCO4)n3)CC2)nc1
InChIInChI=1S/C16H21N5O3/c1-3-13(22-10-1)15-19-14(20-24-15)11-21-8-4-12(5-9-21)23-16-17-6-2-7-18-16/h2,6-7,12-13H,1,3-5,8-11H2
InChIKeyLECUDOPJKRAAKH-UHFFFAOYSA-N
XLogP1.75
TPSA86.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-yl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(oxolan-2-yl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazole (CID 91836994) is 5-(oxolan-2-yl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(oxolan-2-yl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(oxolan-2-yl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazole is c1cnc(OC2CCN(Cc3noc(C4CCCO4)n3)CC2)nc1.
What is the InChIKey of 5-(oxolan-2-yl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is LECUDOPJKRAAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-3-13(22-10-1)15-19-14(20-24-15)11-21-8-4-12(5-9-21)23-16-17-6-2-7-18-16/h2,6-7,12-13H,1,3-5,8-11H2.
What are the key properties of 5-(oxolan-2-yl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazole?
5-(oxolan-2-yl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 331.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-yl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 91836994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).