4-[4-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-yl]morpholine

C15H17F2N5O2 — CID 167911274

IUPAC4-[4-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-yl]morpholine
SMILESFC1(F)CC(Cc2noc(-c3ccnc(N4CCOCC4)n3)n2)C1
InChIInChI=1S/C15H17F2N5O2/c16-15(17)8-10(9-15)7-12-20-13(24-21-12)11-1-2-18-14(19-11)22-3-5-23-6-4-22/h1-2,10H,3-9H2
InChIKeyUOBYIBGILLBPJE-UHFFFAOYSA-N
MW337.33 g/mol
LogP1.95
Rot. Bonds4

About 4-[4-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-yl]morpholine

4-[4-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-yl]morpholine (PubChem CID 167911274) has the molecular formula C15H17F2N5O2 and a molecular weight of 337.33 g/mol. Its IUPAC name is 4-[4-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-yl]morpholine
PubChem CID167911274
Molecular FormulaC15H17F2N5O2
Molecular Weight337.33 g/mol
Exact Mass337.14
IUPAC Name4-[4-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-yl]morpholine
SMILESFC1(F)CC(Cc2noc(-c3ccnc(N4CCOCC4)n3)n2)C1
InChIInChI=1S/C15H17F2N5O2/c16-15(17)8-10(9-15)7-12-20-13(24-21-12)11-1-2-18-14(19-11)22-3-5-23-6-4-22/h1-2,10H,3-9H2
InChIKeyUOBYIBGILLBPJE-UHFFFAOYSA-N
XLogP1.95
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-yl]morpholine (CID 167911274) is 4-[4-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-yl]morpholine is FC1(F)CC(Cc2noc(-c3ccnc(N4CCOCC4)n3)n2)C1.
What is the InChIKey of 4-[4-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-yl]morpholine?
The InChIKey is UOBYIBGILLBPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5O2/c16-15(17)8-10(9-15)7-12-20-13(24-21-12)11-1-2-18-14(19-11)22-3-5-23-6-4-22/h1-2,10H,3-9H2.
What are the key properties of 4-[4-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-yl]morpholine?
4-[4-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-yl]morpholine has a molecular weight of 337.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 167911274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).