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

C20H19FN2O2 — CID 56784760

IUPAC2-[(4-fluorophenyl)methyl]-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole
SMILESFc1ccc(Cc2nnc(C3(c4ccccc4)CCOCC3)o2)cc1
InChIInChI=1S/C20H19FN2O2/c21-17-8-6-15(7-9-17)14-18-22-23-19(25-18)20(10-12-24-13-11-20)16-4-2-1-3-5-16/h1-9H,10-14H2
InChIKeyMBQQXBGWAFTTTF-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.90
Rot. Bonds4

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

2-[(4-fluorophenyl)methyl]-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole (PubChem CID 56784760) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole
PubChem CID56784760
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name2-[(4-fluorophenyl)methyl]-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole
SMILESFc1ccc(Cc2nnc(C3(c4ccccc4)CCOCC3)o2)cc1
InChIInChI=1S/C20H19FN2O2/c21-17-8-6-15(7-9-17)14-18-22-23-19(25-18)20(10-12-24-13-11-20)16-4-2-1-3-5-16/h1-9H,10-14H2
InChIKeyMBQQXBGWAFTTTF-UHFFFAOYSA-N
XLogP3.90
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.90
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-phenyloxan-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole (CID 56784760) is 2-[(4-fluorophenyl)methyl]-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole is Fc1ccc(Cc2nnc(C3(c4ccccc4)CCOCC3)o2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole?
The InChIKey is MBQQXBGWAFTTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c21-17-8-6-15(7-9-17)14-18-22-23-19(25-18)20(10-12-24-13-11-20)16-4-2-1-3-5-16/h1-9H,10-14H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole?
2-[(4-fluorophenyl)methyl]-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole has a molecular weight of 338.38 g/mol, XLogP of 3.90, 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-phenyloxan-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 56784760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).