2-[4-(difluoromethoxy)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)morpholine

C16H19F2N3O3 — CID 122132885

IUPAC2-[4-(difluoromethoxy)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)morpholine
SMILESCC(C)c1noc(N2CCOC(c3ccc(OC(F)F)cc3)C2)n1
InChIInChI=1S/C16H19F2N3O3/c1-10(2)14-19-16(24-20-14)21-7-8-22-13(9-21)11-3-5-12(6-4-11)23-15(17)18/h3-6,10,13,15H,7-9H2,1-2H3
InChIKeyRGXCTSOPWCAOFY-UHFFFAOYSA-N
MW339.34 g/mol
LogP3.37
Rot. Bonds5

About 2-[4-(difluoromethoxy)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)morpholine

2-[4-(difluoromethoxy)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)morpholine (PubChem CID 122132885) has the molecular formula C16H19F2N3O3 and a molecular weight of 339.34 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)morpholine.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)morpholine
PubChem CID122132885
Molecular FormulaC16H19F2N3O3
Molecular Weight339.34 g/mol
Exact Mass339.14
IUPAC Name2-[4-(difluoromethoxy)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)morpholine
SMILESCC(C)c1noc(N2CCOC(c3ccc(OC(F)F)cc3)C2)n1
InChIInChI=1S/C16H19F2N3O3/c1-10(2)14-19-16(24-20-14)21-7-8-22-13(9-21)11-3-5-12(6-4-11)23-15(17)18/h3-6,10,13,15H,7-9H2,1-2H3
InChIKeyRGXCTSOPWCAOFY-UHFFFAOYSA-N
XLogP3.37
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)morpholine?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)morpholine (CID 122132885) is 2-[4-(difluoromethoxy)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)morpholine.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)morpholine?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)morpholine is CC(C)c1noc(N2CCOC(c3ccc(OC(F)F)cc3)C2)n1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)morpholine?
The InChIKey is RGXCTSOPWCAOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O3/c1-10(2)14-19-16(24-20-14)21-7-8-22-13(9-21)11-3-5-12(6-4-11)23-15(17)18/h3-6,10,13,15H,7-9H2,1-2H3.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)morpholine?
2-[4-(difluoromethoxy)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)morpholine has a molecular weight of 339.34 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)morpholine is sourced from PubChem (CID 122132885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).