2-amino-1-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone

C18H31N5O3 — CID 120801322

About 2-amino-1-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone

2-amino-1-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone (PubChem CID 120801322) has the molecular formula C18H31N5O3 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-amino-1-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone.

Molecular Properties

• Compound Name: 2-amino-1-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
• PubChem CID: 120801322
• Molecular Formula: C18H31N5O3
• Molecular Weight: 365.48 g/mol
• Exact Mass: 365.24
• IUPAC Name: 2-amino-1-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
• SMILES: CC(C)c1nc(CN(C)C2CCN(C(=O)C(N)C3CCOCC3)C2)no1
• InChI: InChI=1S/C18H31N5O3/c1-12(2)17-20-15(21-26-17)11-22(3)14-4-7-23(10-14)18(24)16(19)13-5-8-25-9-6-13/h12-14,16H,4-11,19H2,1-3H3
• InChIKey: MCSRYQDGUUZHPZ-UHFFFAOYSA-N
• XLogP: 0.98
• TPSA: 97.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.48
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone?

The IUPAC name of 2-amino-1-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone (CID 120801322) is 2-amino-1-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone.

What is the SMILES notation for 2-amino-1-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone?

The canonical SMILES for 2-amino-1-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone is CC(C)c1nc(CN(C)C2CCN(C(=O)C(N)C3CCOCC3)C2)no1.

What is the InChIKey of 2-amino-1-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone?

The InChIKey is MCSRYQDGUUZHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O3/c1-12(2)17-20-15(21-26-17)11-22(3)14-4-7-23(10-14)18(24)16(19)13-5-8-25-9-6-13/h12-14,16H,4-11,19H2,1-3H3.

What are the key properties of 2-amino-1-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone?

2-amino-1-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone has a molecular weight of 365.48 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 120801322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).