3-methyl-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one

C18H20N4O3 — CID 124989932

About 3-methyl-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one

3-methyl-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one (PubChem CID 124989932) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-methyl-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one.

Molecular Properties

• Compound Name: 3-methyl-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one
• PubChem CID: 124989932
• Molecular Formula: C18H20N4O3
• Molecular Weight: 340.38 g/mol
• Exact Mass: 340.15
• IUPAC Name: 3-methyl-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one
• SMILES: Cc1cnc([C@H]2CCCN(C(=O)c3ccc4oc(=O)n(C)c4c3)C2)[nH]1
• InChI: InChI=1S/C18H20N4O3/c1-11-9-19-16(20-11)13-4-3-7-22(10-13)17(23)12-5-6-15-14(8-12)21(2)18(24)25-15/h5-6,8-9,13H,3-4,7,10H2,1-2H3,(H,19,20)/t13-/m0/s1
• InChIKey: OYAJUXHKCKNSMV-ZDUSSCGKSA-N
• XLogP: 2.18
• TPSA: 84.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.38
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one?

The IUPAC name of 3-methyl-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one (CID 124989932) is 3-methyl-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one.

What is the SMILES notation for 3-methyl-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one?

The canonical SMILES for 3-methyl-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one is Cc1cnc([C@H]2CCCN(C(=O)c3ccc4oc(=O)n(C)c4c3)C2)[nH]1.

What is the InChIKey of 3-methyl-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one?

The InChIKey is OYAJUXHKCKNSMV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-9-19-16(20-11)13-4-3-7-22(10-13)17(23)12-5-6-15-14(8-12)21(2)18(24)25-15/h5-6,8-9,13H,3-4,7,10H2,1-2H3,(H,19,20)/t13-/m0/s1.

What are the key properties of 3-methyl-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one?

3-methyl-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one has a molecular weight of 340.38 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 124989932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).