1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]urea

C19H26N4O2 — CID 96529450

About 1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]urea

1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]urea (PubChem CID 96529450) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]urea.

Molecular Properties

• Compound Name: 1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]urea
• PubChem CID: 96529450
• Molecular Formula: C19H26N4O2
• Molecular Weight: 342.44 g/mol
• Exact Mass: 342.21
• IUPAC Name: 1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]urea
• SMILES: CCN(C(=O)Nc1cc(C)on1)[C@H]1CCN([C@@H](C)c2ccccc2)C1
• InChI: InChI=1S/C19H26N4O2/c1-4-23(19(24)20-18-12-14(2)25-21-18)17-10-11-22(13-17)15(3)16-8-6-5-7-9-16/h5-9,12,15,17H,4,10-11,13H2,1-3H3,(H,20,21,24)/t15-,17-/m0/s1
• InChIKey: SEIJBWYOPXOABA-RDJZCZTQSA-N
• XLogP: 3.67
• TPSA: 61.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.44
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]urea?

The IUPAC name of 1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]urea (CID 96529450) is 1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]urea.

What is the SMILES notation for 1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]urea?

The canonical SMILES for 1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]urea is CCN(C(=O)Nc1cc(C)on1)[C@H]1CCN([C@@H](C)c2ccccc2)C1.

What is the InChIKey of 1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]urea?

The InChIKey is SEIJBWYOPXOABA-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-4-23(19(24)20-18-12-14(2)25-21-18)17-10-11-22(13-17)15(3)16-8-6-5-7-9-16/h5-9,12,15,17H,4,10-11,13H2,1-3H3,(H,20,21,24)/t15-,17-/m0/s1.

What are the key properties of 1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]urea?

1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]urea has a molecular weight of 342.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]urea is sourced from PubChem (CID 96529450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).