N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide

C15H22N6O2 — CID 97073446

About N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide (PubChem CID 97073446) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide
• PubChem CID: 97073446
• Molecular Formula: C15H22N6O2
• Molecular Weight: 318.38 g/mol
• Exact Mass: 318.18
• IUPAC Name: N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide
• SMILES: CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(CCn2cncn2)C1
• InChI: InChI=1S/C15H22N6O2/c1-12-7-17-15(23-12)9-21(13(2)22)14-3-4-19(8-14)5-6-20-11-16-10-18-20/h7,10-11,14H,3-6,8-9H2,1-2H3/t14-/m1/s1
• InChIKey: FPLNDOWSTYEJAZ-CQSZACIVSA-N
• XLogP: 0.70
• TPSA: 80.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.38
LogP ≤ 5	0.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide (CID 97073446) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide.

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

The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide is CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(CCn2cncn2)C1.

What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide?

The InChIKey is FPLNDOWSTYEJAZ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-12-7-17-15(23-12)9-21(13(2)22)14-3-4-19(8-14)5-6-20-11-16-10-18-20/h7,10-11,14H,3-6,8-9H2,1-2H3/t14-/m1/s1.

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

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide has a molecular weight of 318.38 g/mol, XLogP of 0.70, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 97073446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).