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

C16H23N5O — CID 97008172

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

(2R)-2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile (PubChem CID 97008172) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is (2R)-2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile.

Molecular Properties

• Compound Name: (2R)-2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile
• PubChem CID: 97008172
• Molecular Formula: C16H23N5O
• Molecular Weight: 301.39 g/mol
• Exact Mass: 301.19
• IUPAC Name: (2R)-2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile
• SMILES: Cc1cnc(CN(C)[C@@H]2CCN(C[C@H](C#N)CCC#N)C2)o1
• InChI: InChI=1S/C16H23N5O/c1-13-9-19-16(22-13)12-20(2)15-5-7-21(11-15)10-14(8-18)4-3-6-17/h9,14-15H,3-5,7,10-12H2,1-2H3/t14-,15+/m0/s1
• InChIKey: QCMIAXFOTQXRTQ-LSDHHAIUSA-N
• XLogP: 1.93
• TPSA: 80.09 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	301.39
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2R)-2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile (CID 97008172) is (2R)-2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile.

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

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

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

The InChIKey is QCMIAXFOTQXRTQ-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H23N5O/c1-13-9-19-16(22-13)12-20(2)15-5-7-21(11-15)10-14(8-18)4-3-6-17/h9,14-15H,3-5,7,10-12H2,1-2H3/t14-,15+/m0/s1.

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

(2R)-2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile has a molecular weight of 301.39 g/mol, XLogP of 1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile is sourced from PubChem (CID 97008172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).