(1R)-N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine

C20H32N4O4S — CID 26390716

About (1R)-N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine

(1R)-N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine (PubChem CID 26390716) has the molecular formula C20H32N4O4S and a molecular weight of 424.57 g/mol. Its IUPAC name is (1R)-N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine.

Molecular Properties

• Compound Name: (1R)-N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
• PubChem CID: 26390716
• Molecular Formula: C20H32N4O4S
• Molecular Weight: 424.57 g/mol
• Exact Mass: 424.21
• IUPAC Name: (1R)-N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
• SMILES: COCCn1c(CN(C)[C@H](C)c2ccon2)cnc1S(=O)(=O)CC1CCCCC1
• InChI: InChI=1S/C20H32N4O4S/c1-16(19-9-11-28-22-19)23(2)14-18-13-21-20(24(18)10-12-27-3)29(25,26)15-17-7-5-4-6-8-17/h9,11,13,16-17H,4-8,10,12,14-15H2,1-3H3/t16-/m1/s1
• InChIKey: MXYNTWQFZJYUTO-MRXNPFEDSA-N
• XLogP: 3.06
• TPSA: 90.46 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.57
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?

The IUPAC name of (1R)-N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine (CID 26390716) is (1R)-N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine.

What is the SMILES notation for (1R)-N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?

The canonical SMILES for (1R)-N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine is COCCn1c(CN(C)[C@H](C)c2ccon2)cnc1S(=O)(=O)CC1CCCCC1.

What is the InChIKey of (1R)-N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?

The InChIKey is MXYNTWQFZJYUTO-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H32N4O4S/c1-16(19-9-11-28-22-19)23(2)14-18-13-21-20(24(18)10-12-27-3)29(25,26)15-17-7-5-4-6-8-17/h9,11,13,16-17H,4-8,10,12,14-15H2,1-3H3/t16-/m1/s1.

What are the key properties of (1R)-N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?

(1R)-N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine has a molecular weight of 424.57 g/mol, XLogP of 3.06, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine is sourced from PubChem (CID 26390716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).