5-(cyclohexen-1-yl)-3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole

C18H19FN2O2 — CID 45196419

IUPAC5-(cyclohexen-1-yl)-3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole
SMILESFc1ccc(C2(c3noc(C4=CCCCC4)n3)CCOC2)cc1
InChIInChI=1S/C18H19FN2O2/c19-15-8-6-14(7-9-15)18(10-11-22-12-18)17-20-16(23-21-17)13-4-2-1-3-5-13/h4,6-9H,1-3,5,10-12H2
InChIKeyNTEGEVOYXHYSOX-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.87
Rot. Bonds3

About 5-(cyclohexen-1-yl)-3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole

5-(cyclohexen-1-yl)-3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 45196419) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 5-(cyclohexen-1-yl)-3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(cyclohexen-1-yl)-3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID45196419
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name5-(cyclohexen-1-yl)-3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole
SMILESFc1ccc(C2(c3noc(C4=CCCCC4)n3)CCOC2)cc1
InChIInChI=1S/C18H19FN2O2/c19-15-8-6-14(7-9-15)18(10-11-22-12-18)17-20-16(23-21-17)13-4-2-1-3-5-13/h4,6-9H,1-3,5,10-12H2
InChIKeyNTEGEVOYXHYSOX-UHFFFAOYSA-N
XLogP3.87
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexen-1-yl)-3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(cyclohexen-1-yl)-3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole (CID 45196419) is 5-(cyclohexen-1-yl)-3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(cyclohexen-1-yl)-3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(cyclohexen-1-yl)-3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole is Fc1ccc(C2(c3noc(C4=CCCCC4)n3)CCOC2)cc1.
What is the InChIKey of 5-(cyclohexen-1-yl)-3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is NTEGEVOYXHYSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-15-8-6-14(7-9-15)18(10-11-22-12-18)17-20-16(23-21-17)13-4-2-1-3-5-13/h4,6-9H,1-3,5,10-12H2.
What are the key properties of 5-(cyclohexen-1-yl)-3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole?
5-(cyclohexen-1-yl)-3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 314.36 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexen-1-yl)-3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 45196419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).