2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzonitrile

C18H22N4O — CID 97008212

About 2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzonitrile

2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzonitrile (PubChem CID 97008212) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzonitrile.

Molecular Properties

• Compound Name: 2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzonitrile
• PubChem CID: 97008212
• Molecular Formula: C18H22N4O
• Molecular Weight: 310.40 g/mol
• Exact Mass: 310.18
• IUPAC Name: 2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzonitrile
• SMILES: Cc1cnc(CN(C)[C@@H]2CCN(Cc3ccccc3C#N)C2)o1
• InChI: InChI=1S/C18H22N4O/c1-14-10-20-18(23-14)13-21(2)17-7-8-22(12-17)11-16-6-4-3-5-15(16)9-19/h3-6,10,17H,7-8,11-13H2,1-2H3/t17-/m1/s1
• InChIKey: LCNZEQVMAWGZLY-QGZVFWFLSA-N
• XLogP: 2.56
• TPSA: 56.30 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	310.40
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzonitrile?

The IUPAC name of 2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzonitrile (CID 97008212) is 2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzonitrile.

What is the SMILES notation for 2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzonitrile?

The canonical SMILES for 2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzonitrile is Cc1cnc(CN(C)[C@@H]2CCN(Cc3ccccc3C#N)C2)o1.

What is the InChIKey of 2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzonitrile?

The InChIKey is LCNZEQVMAWGZLY-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14-10-20-18(23-14)13-21(2)17-7-8-22(12-17)11-16-6-4-3-5-15(16)9-19/h3-6,10,17H,7-8,11-13H2,1-2H3/t17-/m1/s1.

What are the key properties of 2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzonitrile?

2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzonitrile has a molecular weight of 310.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 97008212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).