3-[(1R,5S)-8-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide

C23H32N4O2 — CID 68577031

IUPAC3-[(1R,5S)-8-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESCC(C)Cc1nc(CCCN2[C@@H]3CC[C@H]2CC(c2cccc(C(N)=O)c2)C3)no1
InChIInChI=1S/C23H32N4O2/c1-15(2)11-22-25-21(26-29-22)7-4-10-27-19-8-9-20(27)14-18(13-19)16-5-3-6-17(12-16)23(24)28/h3,5-6,12,15,18-20H,4,7-11,13-14H2,1-2H3,(H2,24,28)/t18?,19-,20+
InChIKeyJUOXGKGFLAXGIN-IHWFROFDSA-N
MW396.54 g/mol
LogP3.71
Rot. Bonds8

About 3-[(1R,5S)-8-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide

3-[(1R,5S)-8-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide (PubChem CID 68577031) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 3-[(1R,5S)-8-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide.

Molecular Properties

Compound Name3-[(1R,5S)-8-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
PubChem CID68577031
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name3-[(1R,5S)-8-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESCC(C)Cc1nc(CCCN2[C@@H]3CC[C@H]2CC(c2cccc(C(N)=O)c2)C3)no1
InChIInChI=1S/C23H32N4O2/c1-15(2)11-22-25-21(26-29-22)7-4-10-27-19-8-9-20(27)14-18(13-19)16-5-3-6-17(12-16)23(24)28/h3,5-6,12,15,18-20H,4,7-11,13-14H2,1-2H3,(H2,24,28)/t18?,19-,20+
InChIKeyJUOXGKGFLAXGIN-IHWFROFDSA-N
XLogP3.71
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,5S)-8-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The IUPAC name of 3-[(1R,5S)-8-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide (CID 68577031) is 3-[(1R,5S)-8-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide.
What is the SMILES notation for 3-[(1R,5S)-8-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The canonical SMILES for 3-[(1R,5S)-8-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide is CC(C)Cc1nc(CCCN2[C@@H]3CC[C@H]2CC(c2cccc(C(N)=O)c2)C3)no1.
What is the InChIKey of 3-[(1R,5S)-8-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The InChIKey is JUOXGKGFLAXGIN-IHWFROFDSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-15(2)11-22-25-21(26-29-22)7-4-10-27-19-8-9-20(27)14-18(13-19)16-5-3-6-17(12-16)23(24)28/h3,5-6,12,15,18-20H,4,7-11,13-14H2,1-2H3,(H2,24,28)/t18?,19-,20+.
What are the key properties of 3-[(1R,5S)-8-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
3-[(1R,5S)-8-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide has a molecular weight of 396.54 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,5S)-8-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide is sourced from PubChem (CID 68577031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).