2-(1-adamantylmethyl)-5-methyl-1,3,4-oxadiazole

C14H20N2O — CID 19554624

IUPAC2-(1-adamantylmethyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CC23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C14H20N2O/c1-9-15-16-13(17-9)8-14-5-10-2-11(6-14)4-12(3-10)7-14/h10-12H,2-8H2,1H3
InChIKeyNNWKEJBXUWUPHM-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.14
Rot. Bonds2

About 2-(1-adamantylmethyl)-5-methyl-1,3,4-oxadiazole

2-(1-adamantylmethyl)-5-methyl-1,3,4-oxadiazole (PubChem CID 19554624) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(1-adamantylmethyl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-adamantylmethyl)-5-methyl-1,3,4-oxadiazole
PubChem CID19554624
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(1-adamantylmethyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CC23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C14H20N2O/c1-9-15-16-13(17-9)8-14-5-10-2-11(6-14)4-12(3-10)7-14/h10-12H,2-8H2,1H3
InChIKeyNNWKEJBXUWUPHM-UHFFFAOYSA-N
XLogP3.14
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-adamantylmethyl)-5-methyl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylmethyl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-adamantylmethyl)-5-methyl-1,3,4-oxadiazole (CID 19554624) is 2-(1-adamantylmethyl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-adamantylmethyl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-adamantylmethyl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(CC23CC4CC(CC(C4)C2)C3)o1.
What is the InChIKey of 2-(1-adamantylmethyl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is NNWKEJBXUWUPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9-15-16-13(17-9)8-14-5-10-2-11(6-14)4-12(3-10)7-14/h10-12H,2-8H2,1H3.
What are the key properties of 2-(1-adamantylmethyl)-5-methyl-1,3,4-oxadiazole?
2-(1-adamantylmethyl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 232.33 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylmethyl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 19554624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).