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

C17H19FN2O2 — CID 56784988

IUPAC2-[4-(4-fluorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole
SMILESCC1CC1c1nnc(C2(c3ccc(F)cc3)CCOCC2)o1
InChIInChI=1S/C17H19FN2O2/c1-11-10-14(11)15-19-20-16(22-15)17(6-8-21-9-7-17)12-2-4-13(18)5-3-12/h2-5,11,14H,6-10H2,1H3
InChIKeyJBRJVMFHVMPYHY-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.43
Rot. Bonds3

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

2-[4-(4-fluorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole (PubChem CID 56784988) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole
PubChem CID56784988
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name2-[4-(4-fluorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole
SMILESCC1CC1c1nnc(C2(c3ccc(F)cc3)CCOCC2)o1
InChIInChI=1S/C17H19FN2O2/c1-11-10-14(11)15-19-20-16(22-15)17(6-8-21-9-7-17)12-2-4-13(18)5-3-12/h2-5,11,14H,6-10H2,1H3
InChIKeyJBRJVMFHVMPYHY-UHFFFAOYSA-N
XLogP3.43
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-fluorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(4-fluorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole (CID 56784988) is 2-[4-(4-fluorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(4-fluorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(4-fluorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole is CC1CC1c1nnc(C2(c3ccc(F)cc3)CCOCC2)o1.
What is the InChIKey of 2-[4-(4-fluorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole?
The InChIKey is JBRJVMFHVMPYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-11-10-14(11)15-19-20-16(22-15)17(6-8-21-9-7-17)12-2-4-13(18)5-3-12/h2-5,11,14H,6-10H2,1H3.
What are the key properties of 2-[4-(4-fluorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole?
2-[4-(4-fluorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole has a molecular weight of 302.35 g/mol, XLogP of 3.43, 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-(2-methylcyclopropyl)-1,3,4-oxadiazole is sourced from PubChem (CID 56784988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).