1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea

C16H23N3O2S — CID 95135788

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea (PubChem CID 95135788) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea.

Molecular Properties

• Compound Name: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea
• PubChem CID: 95135788
• Molecular Formula: C16H23N3O2S
• Molecular Weight: 321.45 g/mol
• Exact Mass: 321.15
• IUPAC Name: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea
• SMILES: Cc1noc(C)c1CN(C)C(=O)N[C@@H](c1cccs1)C(C)C
• InChI: InChI=1S/C16H23N3O2S/c1-10(2)15(14-7-6-8-22-14)17-16(20)19(5)9-13-11(3)18-21-12(13)4/h6-8,10,15H,9H2,1-5H3,(H,17,20)/t15-/m1/s1
• InChIKey: BUPMOYJHFMDNKG-OAHLLOKOSA-N
• XLogP: 3.89
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.45
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea?

The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea (CID 95135788) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea.

What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea?

The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea is Cc1noc(C)c1CN(C)C(=O)N[C@@H](c1cccs1)C(C)C.

What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea?

The InChIKey is BUPMOYJHFMDNKG-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-10(2)15(14-7-6-8-22-14)17-16(20)19(5)9-13-11(3)18-21-12(13)4/h6-8,10,15H,9H2,1-5H3,(H,17,20)/t15-/m1/s1.

What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea?

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea has a molecular weight of 321.45 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea is sourced from PubChem (CID 95135788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).