3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide

C24H25Cl2N3O2 — CID 55658747

About 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide (PubChem CID 55658747) has the molecular formula C24H25Cl2N3O2 and a molecular weight of 458.39 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
• PubChem CID: 55658747
• Molecular Formula: C24H25Cl2N3O2
• Molecular Weight: 458.39 g/mol
• Exact Mass: 457.13
• IUPAC Name: 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
• SMILES: O=C(CCc1ncc(-c2ccccc2Cl)o1)NCC(c1cccc(Cl)c1)N1CCCC1
• InChI: InChI=1S/C24H25Cl2N3O2/c25-18-7-5-6-17(14-18)21(29-12-3-4-13-29)15-27-23(30)10-11-24-28-16-22(31-24)19-8-1-2-9-20(19)26/h1-2,5-9,14,16,21H,3-4,10-13,15H2,(H,27,30)
• InChIKey: HBCVWHJYLXPNCJ-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.39
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide?

The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide (CID 55658747) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide.

What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide?

The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide is O=C(CCc1ncc(-c2ccccc2Cl)o1)NCC(c1cccc(Cl)c1)N1CCCC1.

What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide?

The InChIKey is HBCVWHJYLXPNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N3O2/c25-18-7-5-6-17(14-18)21(29-12-3-4-13-29)15-27-23(30)10-11-24-28-16-22(31-24)19-8-1-2-9-20(19)26/h1-2,5-9,14,16,21H,3-4,10-13,15H2,(H,27,30).

What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide?

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide has a molecular weight of 458.39 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide is sourced from PubChem (CID 55658747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).