(2R)-1-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol

C15H24N6O2 — CID 100837588

About (2R)-1-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol

(2R)-1-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 100837588) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is (2R)-1-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
• PubChem CID: 100837588
• Molecular Formula: C15H24N6O2
• Molecular Weight: 320.40 g/mol
• Exact Mass: 320.20
• IUPAC Name: (2R)-1-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
• SMILES: Cc1nc(CN(C)[C@@H]2CCN(C[C@@H](O)Cn3cccn3)C2)no1
• InChI: InChI=1S/C15H24N6O2/c1-12-17-15(18-23-12)11-19(2)13-4-7-20(8-13)9-14(22)10-21-6-3-5-16-21/h3,5-6,13-14,22H,4,7-11H2,1-2H3/t13-,14-/m1/s1
• InChIKey: NYERKXUJCINVLX-ZIAGYGMSSA-N
• XLogP: 0.14
• TPSA: 83.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.40
LogP ≤ 5	0.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (2R)-1-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol (CID 100837588) is (2R)-1-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol.

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

The canonical SMILES for (2R)-1-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol is Cc1nc(CN(C)[C@@H]2CCN(C[C@@H](O)Cn3cccn3)C2)no1.

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

The InChIKey is NYERKXUJCINVLX-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-12-17-15(18-23-12)11-19(2)13-4-7-20(8-13)9-14(22)10-21-6-3-5-16-21/h3,5-6,13-14,22H,4,7-11H2,1-2H3/t13-,14-/m1/s1.

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

(2R)-1-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 320.40 g/mol, XLogP of 0.14, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 100837588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).