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

C18H24N4O2 — CID 97008210

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

3-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide (PubChem CID 97008210) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 3-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide
• PubChem CID: 97008210
• Molecular Formula: C18H24N4O2
• Molecular Weight: 328.42 g/mol
• Exact Mass: 328.19
• IUPAC Name: 3-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide
• SMILES: Cc1cnc(CN(C)[C@@H]2CCN(Cc3cccc(C(N)=O)c3)C2)o1
• InChI: InChI=1S/C18H24N4O2/c1-13-9-20-17(24-13)12-21(2)16-6-7-22(11-16)10-14-4-3-5-15(8-14)18(19)23/h3-5,8-9,16H,6-7,10-12H2,1-2H3,(H2,19,23)/t16-/m1/s1
• InChIKey: BOXJOQKQRJDXIW-MRXNPFEDSA-N
• XLogP: 1.79
• TPSA: 75.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.42
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide (CID 97008210) is 3-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide.

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

The canonical SMILES for 3-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide is Cc1cnc(CN(C)[C@@H]2CCN(Cc3cccc(C(N)=O)c3)C2)o1.

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

The InChIKey is BOXJOQKQRJDXIW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-9-20-17(24-13)12-21(2)16-6-7-22(11-16)10-14-4-3-5-15(8-14)18(19)23/h3-5,8-9,16H,6-7,10-12H2,1-2H3,(H2,19,23)/t16-/m1/s1.

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

3-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide has a molecular weight of 328.42 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 97008210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).