1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)azetidin-1-yl]-2-(6-methyl-2-phenyl-2-adamantyl)ethanone

C25H31N3O2 — CID 59336966

IUPAC1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)azetidin-1-yl]-2-(6-methyl-2-phenyl-2-adamantyl)ethanone
SMILESCc1nnc(C2CN(C(=O)CC3(c4ccccc4)C4CC5CC3CC(C4)C5C)C2)o1
InChIInChI=1S/C25H31N3O2/c1-15-17-8-21-10-18(15)11-22(9-17)25(21,20-6-4-3-5-7-20)12-23(29)28-13-19(14-28)24-27-26-16(2)30-24/h3-7,15,17-19,21-22H,8-14H2,1-2H3
InChIKeyVJRWEZQMTNOUAZ-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.33
Rot. Bonds4

About 1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)azetidin-1-yl]-2-(6-methyl-2-phenyl-2-adamantyl)ethanone

1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)azetidin-1-yl]-2-(6-methyl-2-phenyl-2-adamantyl)ethanone (PubChem CID 59336966) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)azetidin-1-yl]-2-(6-methyl-2-phenyl-2-adamantyl)ethanone.

Molecular Properties

Compound Name1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)azetidin-1-yl]-2-(6-methyl-2-phenyl-2-adamantyl)ethanone
PubChem CID59336966
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)azetidin-1-yl]-2-(6-methyl-2-phenyl-2-adamantyl)ethanone
SMILESCc1nnc(C2CN(C(=O)CC3(c4ccccc4)C4CC5CC3CC(C4)C5C)C2)o1
InChIInChI=1S/C25H31N3O2/c1-15-17-8-21-10-18(15)11-22(9-17)25(21,20-6-4-3-5-7-20)12-23(29)28-13-19(14-28)24-27-26-16(2)30-24/h3-7,15,17-19,21-22H,8-14H2,1-2H3
InChIKeyVJRWEZQMTNOUAZ-UHFFFAOYSA-N
XLogP4.33
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)azetidin-1-yl]-2-(6-methyl-2-phenyl-2-adamantyl)ethanone 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 1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)azetidin-1-yl]-2-(6-methyl-2-phenyl-2-adamantyl)ethanone?
The IUPAC name of 1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)azetidin-1-yl]-2-(6-methyl-2-phenyl-2-adamantyl)ethanone (CID 59336966) is 1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)azetidin-1-yl]-2-(6-methyl-2-phenyl-2-adamantyl)ethanone.
What is the SMILES notation for 1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)azetidin-1-yl]-2-(6-methyl-2-phenyl-2-adamantyl)ethanone?
The canonical SMILES for 1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)azetidin-1-yl]-2-(6-methyl-2-phenyl-2-adamantyl)ethanone is Cc1nnc(C2CN(C(=O)CC3(c4ccccc4)C4CC5CC3CC(C4)C5C)C2)o1.
What is the InChIKey of 1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)azetidin-1-yl]-2-(6-methyl-2-phenyl-2-adamantyl)ethanone?
The InChIKey is VJRWEZQMTNOUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-15-17-8-21-10-18(15)11-22(9-17)25(21,20-6-4-3-5-7-20)12-23(29)28-13-19(14-28)24-27-26-16(2)30-24/h3-7,15,17-19,21-22H,8-14H2,1-2H3.
What are the key properties of 1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)azetidin-1-yl]-2-(6-methyl-2-phenyl-2-adamantyl)ethanone?
1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)azetidin-1-yl]-2-(6-methyl-2-phenyl-2-adamantyl)ethanone has a molecular weight of 405.54 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)azetidin-1-yl]-2-(6-methyl-2-phenyl-2-adamantyl)ethanone is sourced from PubChem (CID 59336966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).