1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(3R,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]urea

C18H22N4O3 — CID 97002603

About 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(3R,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]urea

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(3R,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]urea (PubChem CID 97002603) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(3R,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]urea.

Molecular Properties

• Compound Name: 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(3R,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]urea
• PubChem CID: 97002603
• Molecular Formula: C18H22N4O3
• Molecular Weight: 342.40 g/mol
• Exact Mass: 342.17
• IUPAC Name: 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(3R,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]urea
• SMILES: Cc1nc(CNC(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)oc1C
• InChI: InChI=1S/C18H22N4O3/c1-11-9-15(17(23)22(11)14-7-5-4-6-8-14)21-18(24)19-10-16-20-12(2)13(3)25-16/h4-8,11,15H,9-10H2,1-3H3,(H2,19,21,24)/t11-,15+/m0/s1
• InChIKey: CFOUMBBVWCJNDK-XHDPSFHLSA-N
• XLogP: 2.28
• TPSA: 87.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.40
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(3R,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]urea (CID 97002603) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(3R,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]urea.

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

The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(3R,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]urea is Cc1nc(CNC(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)oc1C.

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

The InChIKey is CFOUMBBVWCJNDK-XHDPSFHLSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-11-9-15(17(23)22(11)14-7-5-4-6-8-14)21-18(24)19-10-16-20-12(2)13(3)25-16/h4-8,11,15H,9-10H2,1-3H3,(H2,19,21,24)/t11-,15+/m0/s1.

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

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(3R,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]urea has a molecular weight of 342.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(3R,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]urea is sourced from PubChem (CID 97002603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).