ethane;propan-2-yl (3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate

C23H41N3O4 — CID 142148174

About ethane;propan-2-yl (3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate

ethane;propan-2-yl (3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate (PubChem CID 142148174) has the molecular formula C23H41N3O4 and a molecular weight of 423.60 g/mol. Its IUPAC name is ethane;propan-2-yl (3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate.

Molecular Properties

• Compound Name: ethane;propan-2-yl (3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate
• PubChem CID: 142148174
• Molecular Formula: C23H41N3O4
• Molecular Weight: 423.60 g/mol
• Exact Mass: 423.31
• IUPAC Name: ethane;propan-2-yl (3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate
• SMILES: CC.CC(=O)N(C)Cc1noc([C@H](CCCC2CCCCC2)CC(=O)OC(C)C)n1
• InChI: InChI=1S/C21H35N3O4.C2H6/c1-15(2)27-20(26)13-18(12-8-11-17-9-6-5-7-10-17)21-22-19(23-28-21)14-24(4)16(3)25;1-2/h15,17-18H,5-14H2,1-4H3;1-2H3/t18-;/m1./s1
• InChIKey: OLKCCOAOMAVNKI-GMUIIQOCSA-N
• XLogP: 5.25
• TPSA: 85.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.60
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethane;propan-2-yl (3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate?

The IUPAC name of ethane;propan-2-yl (3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate (CID 142148174) is ethane;propan-2-yl (3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate.

What is the SMILES notation for ethane;propan-2-yl (3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate?

The canonical SMILES for ethane;propan-2-yl (3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate is CC.CC(=O)N(C)Cc1noc([C@H](CCCC2CCCCC2)CC(=O)OC(C)C)n1.

What is the InChIKey of ethane;propan-2-yl (3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate?

The InChIKey is OLKCCOAOMAVNKI-GMUIIQOCSA-N. The full InChI is InChI=1S/C21H35N3O4.C2H6/c1-15(2)27-20(26)13-18(12-8-11-17-9-6-5-7-10-17)21-22-19(23-28-21)14-24(4)16(3)25;1-2/h15,17-18H,5-14H2,1-4H3;1-2H3/t18-;/m1./s1.

What are the key properties of ethane;propan-2-yl (3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate?

ethane;propan-2-yl (3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate has a molecular weight of 423.60 g/mol, XLogP of 5.25, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;propan-2-yl (3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate is sourced from PubChem (CID 142148174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).