1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]urea

C19H24N6O2 — CID 125447930

About 1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]urea

1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]urea (PubChem CID 125447930) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]urea
• PubChem CID: 125447930
• Molecular Formula: C19H24N6O2
• Molecular Weight: 368.44 g/mol
• Exact Mass: 368.20
• IUPAC Name: 1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]urea
• SMILES: CC(C)[C@H](NC(=O)N(C)Cc1cc(-c2cccnc2)no1)c1nccn1C
• InChI: InChI=1S/C19H24N6O2/c1-13(2)17(18-21-8-9-24(18)3)22-19(26)25(4)12-15-10-16(23-27-15)14-6-5-7-20-11-14/h5-11,13,17H,12H2,1-4H3,(H,22,26)/t17-/m0/s1
• InChIKey: HPDQVGFDQAHENA-KRWDZBQOSA-N
• XLogP: 3.01
• TPSA: 89.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.44
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]urea?

The IUPAC name of 1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]urea (CID 125447930) is 1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]urea.

What is the SMILES notation for 1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]urea?

The canonical SMILES for 1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]urea is CC(C)[C@H](NC(=O)N(C)Cc1cc(-c2cccnc2)no1)c1nccn1C.

What is the InChIKey of 1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]urea?

The InChIKey is HPDQVGFDQAHENA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-13(2)17(18-21-8-9-24(18)3)22-19(26)25(4)12-15-10-16(23-27-15)14-6-5-7-20-11-14/h5-11,13,17H,12H2,1-4H3,(H,22,26)/t17-/m0/s1.

What are the key properties of 1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]urea?

1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]urea has a molecular weight of 368.44 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]urea is sourced from PubChem (CID 125447930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).