4-methyl-1-[[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]cyclohexan-1-ol

C17H30N4O2 — CID 96513865

About 4-methyl-1-[[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]cyclohexan-1-ol

4-methyl-1-[[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 96513865) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 4-methyl-1-[[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 4-methyl-1-[[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]cyclohexan-1-ol
• PubChem CID: 96513865
• Molecular Formula: C17H30N4O2
• Molecular Weight: 322.45 g/mol
• Exact Mass: 322.24
• IUPAC Name: 4-methyl-1-[[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]cyclohexan-1-ol
• SMILES: Cc1nc(CN(C)[C@H]2CCN(CC3(O)CCC(C)CC3)C2)no1
• InChI: InChI=1S/C17H30N4O2/c1-13-4-7-17(22,8-5-13)12-21-9-6-15(10-21)20(3)11-16-18-14(2)23-19-16/h13,15,22H,4-12H2,1-3H3/t13?,15-,17?/m0/s1
• InChIKey: NWHRFQYGDHOWBB-GULBITTBSA-N
• XLogP: 1.83
• TPSA: 65.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.45
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]cyclohexan-1-ol?

The IUPAC name of 4-methyl-1-[[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]cyclohexan-1-ol (CID 96513865) is 4-methyl-1-[[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]cyclohexan-1-ol.

What is the SMILES notation for 4-methyl-1-[[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]cyclohexan-1-ol?

The canonical SMILES for 4-methyl-1-[[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]cyclohexan-1-ol is Cc1nc(CN(C)[C@H]2CCN(CC3(O)CCC(C)CC3)C2)no1.

What is the InChIKey of 4-methyl-1-[[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]cyclohexan-1-ol?

The InChIKey is NWHRFQYGDHOWBB-GULBITTBSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-13-4-7-17(22,8-5-13)12-21-9-6-15(10-21)20(3)11-16-18-14(2)23-19-16/h13,15,22H,4-12H2,1-3H3/t13?,15-,17?/m0/s1.

What are the key properties of 4-methyl-1-[[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]cyclohexan-1-ol?

4-methyl-1-[[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 322.45 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-1-[[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 96513865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).