5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

C15H19ClFN5O2 — CID 87111307

IUPAC5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(COc3cnc(Cl)nc3)C(F)C2)n1
InChIInChI=1S/C15H19ClFN5O2/c1-9(2)13-20-15(24-21-13)22-4-3-10(12(17)7-22)8-23-11-5-18-14(16)19-6-11/h5-6,9-10,12H,3-4,7-8H2,1-2H3
InChIKeyLGOFZWAODPOXQI-UHFFFAOYSA-N
MW355.80 g/mol
LogP2.88
Rot. Bonds5

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

5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 87111307) has the molecular formula C15H19ClFN5O2 and a molecular weight of 355.80 g/mol. Its IUPAC name is 5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID87111307
Molecular FormulaC15H19ClFN5O2
Molecular Weight355.80 g/mol
Exact Mass355.12
IUPAC Name5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(COc3cnc(Cl)nc3)C(F)C2)n1
InChIInChI=1S/C15H19ClFN5O2/c1-9(2)13-20-15(24-21-13)22-4-3-10(12(17)7-22)8-23-11-5-18-14(16)19-6-11/h5-6,9-10,12H,3-4,7-8H2,1-2H3
InChIKeyLGOFZWAODPOXQI-UHFFFAOYSA-N
XLogP2.88
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 87111307) is 5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(N2CCC(COc3cnc(Cl)nc3)C(F)C2)n1.
What is the InChIKey of 5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is LGOFZWAODPOXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN5O2/c1-9(2)13-20-15(24-21-13)22-4-3-10(12(17)7-22)8-23-11-5-18-14(16)19-6-11/h5-6,9-10,12H,3-4,7-8H2,1-2H3.
What are the key properties of 5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 355.80 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 87111307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).