1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea

C17H22N4O3 — CID 56785681

About 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea (PubChem CID 56785681) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
• PubChem CID: 56785681
• Molecular Formula: C17H22N4O3
• Molecular Weight: 330.39 g/mol
• Exact Mass: 330.17
• IUPAC Name: 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
• SMILES: CC(C)c1noc(CCNC(=O)NCC2Cc3ccccc3O2)n1
• InChI: InChI=1S/C17H22N4O3/c1-11(2)16-20-15(24-21-16)7-8-18-17(22)19-10-13-9-12-5-3-4-6-14(12)23-13/h3-6,11,13H,7-10H2,1-2H3,(H2,18,19,22)
• InChIKey: BJFANYSMOYMJQK-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 89.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.39
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?

The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea (CID 56785681) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea.

What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?

The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea is CC(C)c1noc(CCNC(=O)NCC2Cc3ccccc3O2)n1.

What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?

The InChIKey is BJFANYSMOYMJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11(2)16-20-15(24-21-16)7-8-18-17(22)19-10-13-9-12-5-3-4-6-14(12)23-13/h3-6,11,13H,7-10H2,1-2H3,(H2,18,19,22).

What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea has a molecular weight of 330.39 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea is sourced from PubChem (CID 56785681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).