1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2,3-dihydroindol-1-yl]-5-phenylpentane-1,4-dione

C31H32F3N3O4 — CID 58428896

About 1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2,3-dihydroindol-1-yl]-5-phenylpentane-1,4-dione

1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2,3-dihydroindol-1-yl]-5-phenylpentane-1,4-dione (PubChem CID 58428896) has the molecular formula C31H32F3N3O4 and a molecular weight of 567.61 g/mol. Its IUPAC name is 1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2,3-dihydroindol-1-yl]-5-phenylpentane-1,4-dione.

Molecular Properties

• Compound Name: 1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2,3-dihydroindol-1-yl]-5-phenylpentane-1,4-dione
• PubChem CID: 58428896
• Molecular Formula: C31H32F3N3O4
• Molecular Weight: 567.61 g/mol
• Exact Mass: 567.23
• IUPAC Name: 1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2,3-dihydroindol-1-yl]-5-phenylpentane-1,4-dione
• SMILES: CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc4c(c3)CCN4C(=O)CCC(=O)Cc3ccccc3)o2)C1
• InChI: InChI=1S/C31H32F3N3O4/c1-20-6-5-14-36(19-20)30-35-29(31(32,33)34)28(41-30)26(39)18-22-9-11-25-23(16-22)13-15-37(25)27(40)12-10-24(38)17-21-7-3-2-4-8-21/h2-4,7-9,11,16,20H,5-6,10,12-15,17-19H2,1H3
• InChIKey: QOGOVLLSVJNSCL-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 83.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.61
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2,3-dihydroindol-1-yl]-5-phenylpentane-1,4-dione?

The IUPAC name of 1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2,3-dihydroindol-1-yl]-5-phenylpentane-1,4-dione (CID 58428896) is 1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2,3-dihydroindol-1-yl]-5-phenylpentane-1,4-dione.

What is the SMILES notation for 1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2,3-dihydroindol-1-yl]-5-phenylpentane-1,4-dione?

The canonical SMILES for 1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2,3-dihydroindol-1-yl]-5-phenylpentane-1,4-dione is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc4c(c3)CCN4C(=O)CCC(=O)Cc3ccccc3)o2)C1.

What is the InChIKey of 1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2,3-dihydroindol-1-yl]-5-phenylpentane-1,4-dione?

The InChIKey is QOGOVLLSVJNSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F3N3O4/c1-20-6-5-14-36(19-20)30-35-29(31(32,33)34)28(41-30)26(39)18-22-9-11-25-23(16-22)13-15-37(25)27(40)12-10-24(38)17-21-7-3-2-4-8-21/h2-4,7-9,11,16,20H,5-6,10,12-15,17-19H2,1H3.

What are the key properties of 1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2,3-dihydroindol-1-yl]-5-phenylpentane-1,4-dione?

1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2,3-dihydroindol-1-yl]-5-phenylpentane-1,4-dione has a molecular weight of 567.61 g/mol, XLogP of 5.84, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2,3-dihydroindol-1-yl]-5-phenylpentane-1,4-dione is sourced from PubChem (CID 58428896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).