3-(oxolan-3-yl)-5-(1-phenylcyclohexyl)-1,2,4-oxadiazole

C18H22N2O2 — CID 72846883

IUPAC3-(oxolan-3-yl)-5-(1-phenylcyclohexyl)-1,2,4-oxadiazole
SMILESc1ccc(C2(c3nc(C4CCOC4)no3)CCCCC2)cc1
InChIInChI=1S/C18H22N2O2/c1-3-7-15(8-4-1)18(10-5-2-6-11-18)17-19-16(20-22-17)14-9-12-21-13-14/h1,3-4,7-8,14H,2,5-6,9-13H2
InChIKeyANBXIIPVDNBEHE-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.82
Rot. Bonds3

About 3-(oxolan-3-yl)-5-(1-phenylcyclohexyl)-1,2,4-oxadiazole

3-(oxolan-3-yl)-5-(1-phenylcyclohexyl)-1,2,4-oxadiazole (PubChem CID 72846883) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-5-(1-phenylcyclohexyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(oxolan-3-yl)-5-(1-phenylcyclohexyl)-1,2,4-oxadiazole
PubChem CID72846883
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-(oxolan-3-yl)-5-(1-phenylcyclohexyl)-1,2,4-oxadiazole
SMILESc1ccc(C2(c3nc(C4CCOC4)no3)CCCCC2)cc1
InChIInChI=1S/C18H22N2O2/c1-3-7-15(8-4-1)18(10-5-2-6-11-18)17-19-16(20-22-17)14-9-12-21-13-14/h1,3-4,7-8,14H,2,5-6,9-13H2
InChIKeyANBXIIPVDNBEHE-UHFFFAOYSA-N
XLogP3.82
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-5-(1-phenylcyclohexyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(oxolan-3-yl)-5-(1-phenylcyclohexyl)-1,2,4-oxadiazole (CID 72846883) is 3-(oxolan-3-yl)-5-(1-phenylcyclohexyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(oxolan-3-yl)-5-(1-phenylcyclohexyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(oxolan-3-yl)-5-(1-phenylcyclohexyl)-1,2,4-oxadiazole is c1ccc(C2(c3nc(C4CCOC4)no3)CCCCC2)cc1.
What is the InChIKey of 3-(oxolan-3-yl)-5-(1-phenylcyclohexyl)-1,2,4-oxadiazole?
The InChIKey is ANBXIIPVDNBEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-7-15(8-4-1)18(10-5-2-6-11-18)17-19-16(20-22-17)14-9-12-21-13-14/h1,3-4,7-8,14H,2,5-6,9-13H2.
What are the key properties of 3-(oxolan-3-yl)-5-(1-phenylcyclohexyl)-1,2,4-oxadiazole?
3-(oxolan-3-yl)-5-(1-phenylcyclohexyl)-1,2,4-oxadiazole has a molecular weight of 298.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-5-(1-phenylcyclohexyl)-1,2,4-oxadiazole is sourced from PubChem (CID 72846883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).