1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea

C24H20N4O2 — CID 46388056

About 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea

1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea (PubChem CID 46388056) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
• PubChem CID: 46388056
• Molecular Formula: C24H20N4O2
• Molecular Weight: 396.45 g/mol
• Exact Mass: 396.16
• IUPAC Name: 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
• SMILES: O=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)Nc1ccc2c(c1)CCC2
• InChI: InChI=1S/C24H20N4O2/c29-24(26-21-13-12-16-8-4-9-18(16)14-21)25-20-11-5-10-19(15-20)23-28-27-22(30-23)17-6-2-1-3-7-17/h1-3,5-7,10-15H,4,8-9H2,(H2,25,26,29)
• InChIKey: BAOIJTHYYRIUMM-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 80.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	396.45
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea?

The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea (CID 46388056) is 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea.

What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea?

The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea is O=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)Nc1ccc2c(c1)CCC2.

What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea?

The InChIKey is BAOIJTHYYRIUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c29-24(26-21-13-12-16-8-4-9-18(16)14-21)25-20-11-5-10-19(15-20)23-28-27-22(30-23)17-6-2-1-3-7-17/h1-3,5-7,10-15H,4,8-9H2,(H2,25,26,29).

What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea?

1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea has a molecular weight of 396.45 g/mol, XLogP of 5.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea is sourced from PubChem (CID 46388056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).