5-(4-cyclohexylphenyl)-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole

C19H20N2O2 — CID 91486153

IUPAC5-(4-cyclohexylphenyl)-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3ccc(C4CCCCC4)cc3)n2)o1
InChIInChI=1S/C19H20N2O2/c1-13-7-12-17(22-13)18-20-19(23-21-18)16-10-8-15(9-11-16)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3
InChIKeyFSVJLTUUGSDWNZ-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.35
Rot. Bonds3

About 5-(4-cyclohexylphenyl)-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole

5-(4-cyclohexylphenyl)-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole (PubChem CID 91486153) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-(4-cyclohexylphenyl)-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-cyclohexylphenyl)-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole
PubChem CID91486153
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name5-(4-cyclohexylphenyl)-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3ccc(C4CCCCC4)cc3)n2)o1
InChIInChI=1S/C19H20N2O2/c1-13-7-12-17(22-13)18-20-19(23-21-18)16-10-8-15(9-11-16)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3
InChIKeyFSVJLTUUGSDWNZ-UHFFFAOYSA-N
XLogP5.35
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexylphenyl)-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-cyclohexylphenyl)-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole (CID 91486153) is 5-(4-cyclohexylphenyl)-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-cyclohexylphenyl)-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-cyclohexylphenyl)-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(-c3ccc(C4CCCCC4)cc3)n2)o1.
What is the InChIKey of 5-(4-cyclohexylphenyl)-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole?
The InChIKey is FSVJLTUUGSDWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13-7-12-17(22-13)18-20-19(23-21-18)16-10-8-15(9-11-16)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3.
What are the key properties of 5-(4-cyclohexylphenyl)-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole?
5-(4-cyclohexylphenyl)-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole has a molecular weight of 308.38 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexylphenyl)-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 91486153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).