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

C30H32F3N5O4 — CID 58429070

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

1-[3-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2,3-dihydroindol-1-yl]-3-oxopropyl]-3-phenylurea (PubChem CID 58429070) has the molecular formula C30H32F3N5O4 and a molecular weight of 583.61 g/mol. Its IUPAC name is 1-[3-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2,3-dihydroindol-1-yl]-3-oxopropyl]-3-phenylurea.

Molecular Properties

• Compound Name: 1-[3-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2,3-dihydroindol-1-yl]-3-oxopropyl]-3-phenylurea
• PubChem CID: 58429070
• Molecular Formula: C30H32F3N5O4
• Molecular Weight: 583.61 g/mol
• Exact Mass: 583.24
• IUPAC Name: 1-[3-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2,3-dihydroindol-1-yl]-3-oxopropyl]-3-phenylurea
• SMILES: CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc4c(c3)CCN4C(=O)CCNC(=O)Nc3ccccc3)o2)C1
• InChI: InChI=1S/C30H32F3N5O4/c1-19-6-5-14-37(18-19)29-36-27(30(31,32)33)26(42-29)24(39)17-20-9-10-23-21(16-20)12-15-38(23)25(40)11-13-34-28(41)35-22-7-3-2-4-8-22/h2-4,7-10,16,19H,5-6,11-15,17-18H2,1H3,(H2,34,35,41)
• InChIKey: PNXSCISCVZJVPF-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 107.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.61
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[3-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2,3-dihydroindol-1-yl]-3-oxopropyl]-3-phenylurea (CID 58429070) is 1-[3-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2,3-dihydroindol-1-yl]-3-oxopropyl]-3-phenylurea.

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

The canonical SMILES for 1-[3-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2,3-dihydroindol-1-yl]-3-oxopropyl]-3-phenylurea is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc4c(c3)CCN4C(=O)CCNC(=O)Nc3ccccc3)o2)C1.

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

The InChIKey is PNXSCISCVZJVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3N5O4/c1-19-6-5-14-37(18-19)29-36-27(30(31,32)33)26(42-29)24(39)17-20-9-10-23-21(16-20)12-15-38(23)25(40)11-13-34-28(41)35-22-7-3-2-4-8-22/h2-4,7-10,16,19H,5-6,11-15,17-18H2,1H3,(H2,34,35,41).

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

1-[3-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2,3-dihydroindol-1-yl]-3-oxopropyl]-3-phenylurea has a molecular weight of 583.61 g/mol, XLogP of 5.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2,3-dihydroindol-1-yl]-3-oxopropyl]-3-phenylurea is sourced from PubChem (CID 58429070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).