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

C19H16ClFN2O2 — CID 56804028

IUPAC2-[4-(3-chlorophenyl)oxan-4-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc(C2(c3cccc(Cl)c3)CCOCC2)o1
InChIInChI=1S/C19H16ClFN2O2/c20-14-5-3-4-13(12-14)19(8-10-24-11-9-19)18-23-22-17(25-18)15-6-1-2-7-16(15)21/h1-7,12H,8-11H2
InChIKeyPNVZIZKKTYSHHK-UHFFFAOYSA-N
MW358.80 g/mol
LogP4.63
Rot. Bonds3

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

2-[4-(3-chlorophenyl)oxan-4-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 56804028) has the molecular formula C19H16ClFN2O2 and a molecular weight of 358.80 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)oxan-4-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)oxan-4-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
PubChem CID56804028
Molecular FormulaC19H16ClFN2O2
Molecular Weight358.80 g/mol
Exact Mass358.09
IUPAC Name2-[4-(3-chlorophenyl)oxan-4-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc(C2(c3cccc(Cl)c3)CCOCC2)o1
InChIInChI=1S/C19H16ClFN2O2/c20-14-5-3-4-13(12-14)19(8-10-24-11-9-19)18-23-22-17(25-18)15-6-1-2-7-16(15)21/h1-7,12H,8-11H2
InChIKeyPNVZIZKKTYSHHK-UHFFFAOYSA-N
XLogP4.63
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)oxan-4-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(3-chlorophenyl)oxan-4-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole (CID 56804028) is 2-[4-(3-chlorophenyl)oxan-4-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(3-chlorophenyl)oxan-4-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(3-chlorophenyl)oxan-4-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole is Fc1ccccc1-c1nnc(C2(c3cccc(Cl)c3)CCOCC2)o1.
What is the InChIKey of 2-[4-(3-chlorophenyl)oxan-4-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is PNVZIZKKTYSHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2/c20-14-5-3-4-13(12-14)19(8-10-24-11-9-19)18-23-22-17(25-18)15-6-1-2-7-16(15)21/h1-7,12H,8-11H2.
What are the key properties of 2-[4-(3-chlorophenyl)oxan-4-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
2-[4-(3-chlorophenyl)oxan-4-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 358.80 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)oxan-4-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 56804028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).