2-[4-(2,4-difluorophenyl)oxan-4-yl]-5-(oxan-3-yl)-1,3,4-oxadiazole

C18H20F2N2O3 — CID 167982957

IUPAC2-[4-(2,4-difluorophenyl)oxan-4-yl]-5-(oxan-3-yl)-1,3,4-oxadiazole
SMILESFc1ccc(C2(c3nnc(C4CCCOC4)o3)CCOCC2)c(F)c1
InChIInChI=1S/C18H20F2N2O3/c19-13-3-4-14(15(20)10-13)18(5-8-23-9-6-18)17-22-21-16(25-17)12-2-1-7-24-11-12/h3-4,10,12H,1-2,5-9,11H2
InChIKeyYQYZCWYAFFNTRQ-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.34
Rot. Bonds3

About 2-[4-(2,4-difluorophenyl)oxan-4-yl]-5-(oxan-3-yl)-1,3,4-oxadiazole

2-[4-(2,4-difluorophenyl)oxan-4-yl]-5-(oxan-3-yl)-1,3,4-oxadiazole (PubChem CID 167982957) has the molecular formula C18H20F2N2O3 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenyl)oxan-4-yl]-5-(oxan-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenyl)oxan-4-yl]-5-(oxan-3-yl)-1,3,4-oxadiazole
PubChem CID167982957
Molecular FormulaC18H20F2N2O3
Molecular Weight350.37 g/mol
Exact Mass350.14
IUPAC Name2-[4-(2,4-difluorophenyl)oxan-4-yl]-5-(oxan-3-yl)-1,3,4-oxadiazole
SMILESFc1ccc(C2(c3nnc(C4CCCOC4)o3)CCOCC2)c(F)c1
InChIInChI=1S/C18H20F2N2O3/c19-13-3-4-14(15(20)10-13)18(5-8-23-9-6-18)17-22-21-16(25-17)12-2-1-7-24-11-12/h3-4,10,12H,1-2,5-9,11H2
InChIKeyYQYZCWYAFFNTRQ-UHFFFAOYSA-N
XLogP3.34
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenyl)oxan-4-yl]-5-(oxan-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(2,4-difluorophenyl)oxan-4-yl]-5-(oxan-3-yl)-1,3,4-oxadiazole (CID 167982957) is 2-[4-(2,4-difluorophenyl)oxan-4-yl]-5-(oxan-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(2,4-difluorophenyl)oxan-4-yl]-5-(oxan-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(2,4-difluorophenyl)oxan-4-yl]-5-(oxan-3-yl)-1,3,4-oxadiazole is Fc1ccc(C2(c3nnc(C4CCCOC4)o3)CCOCC2)c(F)c1.
What is the InChIKey of 2-[4-(2,4-difluorophenyl)oxan-4-yl]-5-(oxan-3-yl)-1,3,4-oxadiazole?
The InChIKey is YQYZCWYAFFNTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3/c19-13-3-4-14(15(20)10-13)18(5-8-23-9-6-18)17-22-21-16(25-17)12-2-1-7-24-11-12/h3-4,10,12H,1-2,5-9,11H2.
What are the key properties of 2-[4-(2,4-difluorophenyl)oxan-4-yl]-5-(oxan-3-yl)-1,3,4-oxadiazole?
2-[4-(2,4-difluorophenyl)oxan-4-yl]-5-(oxan-3-yl)-1,3,4-oxadiazole has a molecular weight of 350.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluorophenyl)oxan-4-yl]-5-(oxan-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 167982957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).