2-(1-adamantyl)-5-phenyl-1,3,4-oxadiazole

C18H20N2O — CID 4963860

IUPAC2-(1-adamantyl)-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1
InChIInChI=1S/C18H20N2O/c1-2-4-15(5-3-1)16-19-20-17(21-16)18-9-12-6-13(10-18)8-14(7-12)11-18/h1-5,12-14H,6-11H2
InChIKeyRFHBZKFQJOCPLM-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.20
Rot. Bonds2

About 2-(1-adamantyl)-5-phenyl-1,3,4-oxadiazole

2-(1-adamantyl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 4963860) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(1-adamantyl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-adamantyl)-5-phenyl-1,3,4-oxadiazole
PubChem CID4963860
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-(1-adamantyl)-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1
InChIInChI=1S/C18H20N2O/c1-2-4-15(5-3-1)16-19-20-17(21-16)18-9-12-6-13(10-18)8-14(7-12)11-18/h1-5,12-14H,6-11H2
InChIKeyRFHBZKFQJOCPLM-UHFFFAOYSA-N
XLogP4.20
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-adamantyl)-5-phenyl-1,3,4-oxadiazole (CID 4963860) is 2-(1-adamantyl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-adamantyl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-adamantyl)-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1.
What is the InChIKey of 2-(1-adamantyl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is RFHBZKFQJOCPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-4-15(5-3-1)16-19-20-17(21-16)18-9-12-6-13(10-18)8-14(7-12)11-18/h1-5,12-14H,6-11H2.
What are the key properties of 2-(1-adamantyl)-5-phenyl-1,3,4-oxadiazole?
2-(1-adamantyl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 280.37 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 4963860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).