1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea

C13H20N6O2 — CID 121497199

About 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea

1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea (PubChem CID 121497199) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
• PubChem CID: 121497199
• Molecular Formula: C13H20N6O2
• Molecular Weight: 292.34 g/mol
• Exact Mass: 292.16
• IUPAC Name: 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
• SMILES: Cc1cnc(CN(C)C(=O)NCc2nc(C(C)C)no2)[nH]1
• InChI: InChI=1S/C13H20N6O2/c1-8(2)12-17-11(21-18-12)6-15-13(20)19(4)7-10-14-5-9(3)16-10/h5,8H,6-7H2,1-4H3,(H,14,16)(H,15,20)
• InChIKey: UKCWDBGLMVEFED-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 99.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	292.34
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea?

The IUPAC name of 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea (CID 121497199) is 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea.

What is the SMILES notation for 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea?

The canonical SMILES for 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea is Cc1cnc(CN(C)C(=O)NCc2nc(C(C)C)no2)[nH]1.

What is the InChIKey of 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea?

The InChIKey is UKCWDBGLMVEFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-8(2)12-17-11(21-18-12)6-15-13(20)19(4)7-10-14-5-9(3)16-10/h5,8H,6-7H2,1-4H3,(H,14,16)(H,15,20).

What are the key properties of 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea?

1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea has a molecular weight of 292.34 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea is sourced from PubChem (CID 121497199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).