3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one

C26H30N2O2 — CID 56800394

About 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one

3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 56800394) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one
• PubChem CID: 56800394
• Molecular Formula: C26H30N2O2
• Molecular Weight: 402.54 g/mol
• Exact Mass: 402.23
• IUPAC Name: 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one
• SMILES: CCC(c1ccccc1)C1CCCN1C(=O)CCc1ncc(-c2ccc(C)cc2)o1
• InChI: InChI=1S/C26H30N2O2/c1-3-22(20-8-5-4-6-9-20)23-10-7-17-28(23)26(29)16-15-25-27-18-24(30-25)21-13-11-19(2)12-14-21/h4-6,8-9,11-14,18,22-23H,3,7,10,15-17H2,1-2H3
• InChIKey: PQVPJOHMLZMOHU-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 46.34 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.54
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one?

The IUPAC name of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one (CID 56800394) is 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one.

What is the SMILES notation for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one?

The canonical SMILES for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one is CCC(c1ccccc1)C1CCCN1C(=O)CCc1ncc(-c2ccc(C)cc2)o1.

What is the InChIKey of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one?

The InChIKey is PQVPJOHMLZMOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-3-22(20-8-5-4-6-9-20)23-10-7-17-28(23)26(29)16-15-25-27-18-24(30-25)21-13-11-19(2)12-14-21/h4-6,8-9,11-14,18,22-23H,3,7,10,15-17H2,1-2H3.

What are the key properties of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one?

3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 402.54 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 56800394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).