2-(butan-2-ylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide

C13H22N4O3 — CID 60947783

About 2-(butan-2-ylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide

2-(butan-2-ylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide (PubChem CID 60947783) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide.

Molecular Properties

• Compound Name: 2-(butan-2-ylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
• PubChem CID: 60947783
• Molecular Formula: C13H22N4O3
• Molecular Weight: 282.34 g/mol
• Exact Mass: 282.17
• IUPAC Name: 2-(butan-2-ylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
• SMILES: CCC(C)NCC(=O)N(C)CC(=O)Nc1cc(C)on1
• InChI: InChI=1S/C13H22N4O3/c1-5-9(2)14-7-13(19)17(4)8-12(18)15-11-6-10(3)20-16-11/h6,9,14H,5,7-8H2,1-4H3,(H,15,16,18)
• InChIKey: NNYRQNUNZYNVKQ-UHFFFAOYSA-N
• XLogP: 0.77
• TPSA: 87.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.34
LogP ≤ 5	0.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide?

The IUPAC name of 2-(butan-2-ylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide (CID 60947783) is 2-(butan-2-ylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide.

What is the SMILES notation for 2-(butan-2-ylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide?

The canonical SMILES for 2-(butan-2-ylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide is CCC(C)NCC(=O)N(C)CC(=O)Nc1cc(C)on1.

What is the InChIKey of 2-(butan-2-ylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide?

The InChIKey is NNYRQNUNZYNVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-5-9(2)14-7-13(19)17(4)8-12(18)15-11-6-10(3)20-16-11/h6,9,14H,5,7-8H2,1-4H3,(H,15,16,18).

What are the key properties of 2-(butan-2-ylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide?

2-(butan-2-ylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide has a molecular weight of 282.34 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(butan-2-ylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 60947783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).