1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]urea

C17H20N4O4 — CID 97201711

About 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]urea

1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]urea (PubChem CID 97201711) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]urea.

Molecular Properties

• Compound Name: 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]urea
• PubChem CID: 97201711
• Molecular Formula: C17H20N4O4
• Molecular Weight: 344.37 g/mol
• Exact Mass: 344.15
• IUPAC Name: 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]urea
• SMILES: Cc1nc(NC(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)oc1C
• InChI: InChI=1S/C17H20N4O4/c1-10-12(3)25-16(19-10)20-15(22)18-11(2)13-5-4-6-14(9-13)21-7-8-24-17(21)23/h4-6,9,11H,7-8H2,1-3H3,(H2,18,19,20,22)/t11-/m1/s1
• InChIKey: SYJKIEZKUBZZFN-LLVKDONJSA-N
• XLogP: 3.13
• TPSA: 96.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.37
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]urea?

The IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]urea (CID 97201711) is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]urea.

What is the SMILES notation for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]urea?

The canonical SMILES for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]urea is Cc1nc(NC(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)oc1C.

What is the InChIKey of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]urea?

The InChIKey is SYJKIEZKUBZZFN-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-10-12(3)25-16(19-10)20-15(22)18-11(2)13-5-4-6-14(9-13)21-7-8-24-17(21)23/h4-6,9,11H,7-8H2,1-3H3,(H2,18,19,20,22)/t11-/m1/s1.

What are the key properties of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]urea?

1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]urea has a molecular weight of 344.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]urea is sourced from PubChem (CID 97201711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).