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

C20H18F2N2O2 — CID 56804084

IUPAC2-[(4-fluorophenyl)methyl]-5-[4-(4-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole
SMILESFc1ccc(Cc2nnc(C3(c4ccc(F)cc4)CCOCC3)o2)cc1
InChIInChI=1S/C20H18F2N2O2/c21-16-5-1-14(2-6-16)13-18-23-24-19(26-18)20(9-11-25-12-10-20)15-3-7-17(22)8-4-15/h1-8H,9-13H2
InChIKeyXIPUXOXGZYVYKO-UHFFFAOYSA-N
MW356.37 g/mol
LogP4.04
Rot. Bonds4

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

2-[(4-fluorophenyl)methyl]-5-[4-(4-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole (PubChem CID 56804084) has the molecular formula C20H18F2N2O2 and a molecular weight of 356.37 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5-[4-(4-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5-[4-(4-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole
PubChem CID56804084
Molecular FormulaC20H18F2N2O2
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name2-[(4-fluorophenyl)methyl]-5-[4-(4-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole
SMILESFc1ccc(Cc2nnc(C3(c4ccc(F)cc4)CCOCC3)o2)cc1
InChIInChI=1S/C20H18F2N2O2/c21-16-5-1-14(2-6-16)13-18-23-24-19(26-18)20(9-11-25-12-10-20)15-3-7-17(22)8-4-15/h1-8H,9-13H2
InChIKeyXIPUXOXGZYVYKO-UHFFFAOYSA-N
XLogP4.04
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-5-[4-(4-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5-[4-(4-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole (CID 56804084) is 2-[(4-fluorophenyl)methyl]-5-[4-(4-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5-[4-(4-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5-[4-(4-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole is Fc1ccc(Cc2nnc(C3(c4ccc(F)cc4)CCOCC3)o2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5-[4-(4-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole?
The InChIKey is XIPUXOXGZYVYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2/c21-16-5-1-14(2-6-16)13-18-23-24-19(26-18)20(9-11-25-12-10-20)15-3-7-17(22)8-4-15/h1-8H,9-13H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-5-[4-(4-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole?
2-[(4-fluorophenyl)methyl]-5-[4-(4-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole has a molecular weight of 356.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-5-[4-(4-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 56804084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).