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

C20H19FN2O2 — CID 56784975

IUPAC2-[4-(4-fluorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnc(C3(c4ccc(F)cc4)CCOCC3)o2)c1
InChIInChI=1S/C20H19FN2O2/c1-14-3-2-4-15(13-14)18-22-23-19(25-18)20(9-11-24-12-10-20)16-5-7-17(21)8-6-16/h2-8,13H,9-12H2,1H3
InChIKeyRWKFGWKKDGMYAE-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.28
Rot. Bonds3

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

2-[4-(4-fluorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole (PubChem CID 56784975) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole
PubChem CID56784975
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name2-[4-(4-fluorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnc(C3(c4ccc(F)cc4)CCOCC3)o2)c1
InChIInChI=1S/C20H19FN2O2/c1-14-3-2-4-15(13-14)18-22-23-19(25-18)20(9-11-24-12-10-20)16-5-7-17(21)8-6-16/h2-8,13H,9-12H2,1H3
InChIKeyRWKFGWKKDGMYAE-UHFFFAOYSA-N
XLogP4.28
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(4-fluorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole (CID 56784975) is 2-[4-(4-fluorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(4-fluorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(4-fluorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole is Cc1cccc(-c2nnc(C3(c4ccc(F)cc4)CCOCC3)o2)c1.
What is the InChIKey of 2-[4-(4-fluorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is RWKFGWKKDGMYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-14-3-2-4-15(13-14)18-22-23-19(25-18)20(9-11-24-12-10-20)16-5-7-17(21)8-6-16/h2-8,13H,9-12H2,1H3.
What are the key properties of 2-[4-(4-fluorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole?
2-[4-(4-fluorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 338.38 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 56784975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).