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

C16H17FN2O2 — CID 56784944

IUPAC2-cyclopropyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole
SMILESFc1cccc(C2(c3nnc(C4CC4)o3)CCOCC2)c1
InChIInChI=1S/C16H17FN2O2/c17-13-3-1-2-12(10-13)16(6-8-20-9-7-16)15-19-18-14(21-15)11-4-5-11/h1-3,10-11H,4-9H2
InChIKeyJYHVVDLAUCEWAD-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.18
Rot. Bonds3

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

2-cyclopropyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole (PubChem CID 56784944) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole
PubChem CID56784944
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-cyclopropyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole
SMILESFc1cccc(C2(c3nnc(C4CC4)o3)CCOCC2)c1
InChIInChI=1S/C16H17FN2O2/c17-13-3-1-2-12(10-13)16(6-8-20-9-7-16)15-19-18-14(21-15)11-4-5-11/h1-3,10-11H,4-9H2
InChIKeyJYHVVDLAUCEWAD-UHFFFAOYSA-N
XLogP3.18
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole (CID 56784944) is 2-cyclopropyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole is Fc1cccc(C2(c3nnc(C4CC4)o3)CCOCC2)c1.
What is the InChIKey of 2-cyclopropyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole?
The InChIKey is JYHVVDLAUCEWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-13-3-1-2-12(10-13)16(6-8-20-9-7-16)15-19-18-14(21-15)11-4-5-11/h1-3,10-11H,4-9H2.
What are the key properties of 2-cyclopropyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole has a molecular weight of 288.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 56784944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).