2-[(3S)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

C18H25N5O2 — CID 97008159

About 2-[(3S)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[(3S)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 97008159) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[(3S)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[(3S)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
• PubChem CID: 97008159
• Molecular Formula: C18H25N5O2
• Molecular Weight: 343.43 g/mol
• Exact Mass: 343.20
• IUPAC Name: 2-[(3S)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
• SMILES: Cc1cnc(CN(C)[C@H]2CCN(CC(=O)NCc3cccnc3)C2)o1
• InChI: InChI=1S/C18H25N5O2/c1-14-8-21-18(25-14)13-22(2)16-5-7-23(11-16)12-17(24)20-10-15-4-3-6-19-9-15/h3-4,6,8-9,16H,5,7,10-13H2,1-2H3,(H,20,24)/t16-/m0/s1
• InChIKey: KPBMPWJPRURRBS-INIZCTEOSA-N
• XLogP: 1.20
• TPSA: 74.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.43
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?

The IUPAC name of 2-[(3S)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 97008159) is 2-[(3S)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.

What is the SMILES notation for 2-[(3S)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?

The canonical SMILES for 2-[(3S)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is Cc1cnc(CN(C)[C@H]2CCN(CC(=O)NCc3cccnc3)C2)o1.

What is the InChIKey of 2-[(3S)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?

The InChIKey is KPBMPWJPRURRBS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14-8-21-18(25-14)13-22(2)16-5-7-23(11-16)12-17(24)20-10-15-4-3-6-19-9-15/h3-4,6,8-9,16H,5,7,10-13H2,1-2H3,(H,20,24)/t16-/m0/s1.

What are the key properties of 2-[(3S)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?

2-[(3S)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 343.43 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 97008159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).