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

C24H29N3O2 — CID 71129788

IUPAC1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)azetidin-1-yl]-2-(2-phenyl-2-adamantyl)ethanone
SMILESCc1nnc(C2CN(C(=O)CC3(c4ccccc4)C4CC5CC(C4)CC3C5)C2)o1
InChIInChI=1S/C24H29N3O2/c1-15-25-26-23(29-15)18-13-27(14-18)22(28)12-24(19-5-3-2-4-6-19)20-8-16-7-17(10-20)11-21(24)9-16/h2-6,16-18,20-21H,7-14H2,1H3
InChIKeyYKGQHVYDYCYBHA-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.09
Rot. Bonds4

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

1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)azetidin-1-yl]-2-(2-phenyl-2-adamantyl)ethanone (PubChem CID 71129788) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)azetidin-1-yl]-2-(2-phenyl-2-adamantyl)ethanone.

Molecular Properties

Compound Name1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)azetidin-1-yl]-2-(2-phenyl-2-adamantyl)ethanone
PubChem CID71129788
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)azetidin-1-yl]-2-(2-phenyl-2-adamantyl)ethanone
SMILESCc1nnc(C2CN(C(=O)CC3(c4ccccc4)C4CC5CC(C4)CC3C5)C2)o1
InChIInChI=1S/C24H29N3O2/c1-15-25-26-23(29-15)18-13-27(14-18)22(28)12-24(19-5-3-2-4-6-19)20-8-16-7-17(10-20)11-21(24)9-16/h2-6,16-18,20-21H,7-14H2,1H3
InChIKeyYKGQHVYDYCYBHA-UHFFFAOYSA-N
XLogP4.09
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)azetidin-1-yl]-2-(2-phenyl-2-adamantyl)ethanone?
The IUPAC name of 1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)azetidin-1-yl]-2-(2-phenyl-2-adamantyl)ethanone (CID 71129788) is 1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)azetidin-1-yl]-2-(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-(2-phenyl-2-adamantyl)ethanone?
The canonical SMILES for 1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)azetidin-1-yl]-2-(2-phenyl-2-adamantyl)ethanone is Cc1nnc(C2CN(C(=O)CC3(c4ccccc4)C4CC5CC(C4)CC3C5)C2)o1.
What is the InChIKey of 1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)azetidin-1-yl]-2-(2-phenyl-2-adamantyl)ethanone?
The InChIKey is YKGQHVYDYCYBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-15-25-26-23(29-15)18-13-27(14-18)22(28)12-24(19-5-3-2-4-6-19)20-8-16-7-17(10-20)11-21(24)9-16/h2-6,16-18,20-21H,7-14H2,1H3.
What are the key properties of 1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)azetidin-1-yl]-2-(2-phenyl-2-adamantyl)ethanone?
1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)azetidin-1-yl]-2-(2-phenyl-2-adamantyl)ethanone has a molecular weight of 391.52 g/mol, XLogP of 4.09, 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-(2-phenyl-2-adamantyl)ethanone is sourced from PubChem (CID 71129788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).