2-(cyclohexylmethyl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole

C20H26N2O2 — CID 56803914

IUPAC2-(cyclohexylmethyl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole
SMILESc1ccc(C2(c3nnc(CC4CCCCC4)o3)CCOCC2)cc1
InChIInChI=1S/C20H26N2O2/c1-3-7-16(8-4-1)15-18-21-22-19(24-18)20(11-13-23-14-12-20)17-9-5-2-6-10-17/h2,5-6,9-10,16H,1,3-4,7-8,11-15H2
InChIKeyHONGGOYBYXOSAW-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.29
Rot. Bonds4

About 2-(cyclohexylmethyl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole

2-(cyclohexylmethyl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole (PubChem CID 56803914) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole
PubChem CID56803914
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-(cyclohexylmethyl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole
SMILESc1ccc(C2(c3nnc(CC4CCCCC4)o3)CCOCC2)cc1
InChIInChI=1S/C20H26N2O2/c1-3-7-16(8-4-1)15-18-21-22-19(24-18)20(11-13-23-14-12-20)17-9-5-2-6-10-17/h2,5-6,9-10,16H,1,3-4,7-8,11-15H2
InChIKeyHONGGOYBYXOSAW-UHFFFAOYSA-N
XLogP4.29
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(cyclohexylmethyl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole (CID 56803914) is 2-(cyclohexylmethyl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(cyclohexylmethyl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(cyclohexylmethyl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole is c1ccc(C2(c3nnc(CC4CCCCC4)o3)CCOCC2)cc1.
What is the InChIKey of 2-(cyclohexylmethyl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole?
The InChIKey is HONGGOYBYXOSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-7-16(8-4-1)15-18-21-22-19(24-18)20(11-13-23-14-12-20)17-9-5-2-6-10-17/h2,5-6,9-10,16H,1,3-4,7-8,11-15H2.
What are the key properties of 2-(cyclohexylmethyl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole?
2-(cyclohexylmethyl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole has a molecular weight of 326.44 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 56803914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).