3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide

C27H24ClN3O2 — CID 55895972

About 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide (PubChem CID 55895972) has the molecular formula C27H24ClN3O2 and a molecular weight of 457.96 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide
• PubChem CID: 55895972
• Molecular Formula: C27H24ClN3O2
• Molecular Weight: 457.96 g/mol
• Exact Mass: 457.16
• IUPAC Name: 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide
• SMILES: O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccccc1CN1CCc2ccccc21
• InChI: InChI=1S/C27H24ClN3O2/c28-22-10-4-3-9-21(22)25-17-29-27(33-25)14-13-26(32)30-23-11-5-1-8-20(23)18-31-16-15-19-7-2-6-12-24(19)31/h1-12,17H,13-16,18H2,(H,30,32)
• InChIKey: BVDGJQIAUDBPLI-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.96
LogP ≤ 5	6.13
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-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide?

The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide (CID 55895972) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide.

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

The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide is O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccccc1CN1CCc2ccccc21.

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

The InChIKey is BVDGJQIAUDBPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O2/c28-22-10-4-3-9-21(22)25-17-29-27(33-25)14-13-26(32)30-23-11-5-1-8-20(23)18-31-16-15-19-7-2-6-12-24(19)31/h1-12,17H,13-16,18H2,(H,30,32).

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

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide has a molecular weight of 457.96 g/mol, XLogP of 6.13, 7 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-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 55895972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).