1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine

C18H28N6O — CID 71928386

About 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine

1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 71928386) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

• Compound Name: 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
• PubChem CID: 71928386
• Molecular Formula: C18H28N6O
• Molecular Weight: 344.46 g/mol
• Exact Mass: 344.23
• IUPAC Name: 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
• SMILES: CCc1cnc(CN(C)C2CCN(Cc3nnc(C4CC4)n3C)C2)o1
• InChI: InChI=1S/C18H28N6O/c1-4-15-9-19-17(25-15)12-22(2)14-7-8-24(10-14)11-16-20-21-18(23(16)3)13-5-6-13/h9,13-14H,4-8,10-12H2,1-3H3
• InChIKey: LCOSUKMZDUQIHW-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 63.22 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.46
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine?

The IUPAC name of 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine (CID 71928386) is 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine.

What is the SMILES notation for 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine?

The canonical SMILES for 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine is CCc1cnc(CN(C)C2CCN(Cc3nnc(C4CC4)n3C)C2)o1.

What is the InChIKey of 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine?

The InChIKey is LCOSUKMZDUQIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-4-15-9-19-17(25-15)12-22(2)14-7-8-24(10-14)11-16-20-21-18(23(16)3)13-5-6-13/h9,13-14H,4-8,10-12H2,1-3H3.

What are the key properties of 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine?

1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 344.46 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 71928386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).