3-cyclohexyl-1-[2-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1-methylurea

C22H30N4O3 — CID 53055512

About 3-cyclohexyl-1-[2-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1-methylurea

3-cyclohexyl-1-[2-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1-methylurea (PubChem CID 53055512) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-cyclohexyl-1-[2-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1-methylurea.

Molecular Properties

• Compound Name: 3-cyclohexyl-1-[2-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1-methylurea
• PubChem CID: 53055512
• Molecular Formula: C22H30N4O3
• Molecular Weight: 398.51 g/mol
• Exact Mass: 398.23
• IUPAC Name: 3-cyclohexyl-1-[2-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1-methylurea
• SMILES: CN(CCc1noc(COc2ccc3c(c2)CCC3)n1)C(=O)NC1CCCCC1
• InChI: InChI=1S/C22H30N4O3/c1-26(22(27)23-18-8-3-2-4-9-18)13-12-20-24-21(29-25-20)15-28-19-11-10-16-6-5-7-17(16)14-19/h10-11,14,18H,2-9,12-13,15H2,1H3,(H,23,27)
• InChIKey: OGMVUGGQEMQNBW-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.51
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[2-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1-methylurea?

The IUPAC name of 3-cyclohexyl-1-[2-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1-methylurea (CID 53055512) is 3-cyclohexyl-1-[2-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1-methylurea.

What is the SMILES notation for 3-cyclohexyl-1-[2-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1-methylurea?

The canonical SMILES for 3-cyclohexyl-1-[2-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1-methylurea is CN(CCc1noc(COc2ccc3c(c2)CCC3)n1)C(=O)NC1CCCCC1.

What is the InChIKey of 3-cyclohexyl-1-[2-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1-methylurea?

The InChIKey is OGMVUGGQEMQNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-26(22(27)23-18-8-3-2-4-9-18)13-12-20-24-21(29-25-20)15-28-19-11-10-16-6-5-7-17(16)14-19/h10-11,14,18H,2-9,12-13,15H2,1H3,(H,23,27).

What are the key properties of 3-cyclohexyl-1-[2-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1-methylurea?

3-cyclohexyl-1-[2-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1-methylurea has a molecular weight of 398.51 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexyl-1-[2-[5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1-methylurea is sourced from PubChem (CID 53055512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).