2-methoxyethyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium

C19H29N4O3S+ — CID 8711076

About 2-methoxyethyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium

2-methoxyethyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium (PubChem CID 8711076) has the molecular formula C19H29N4O3S+ and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-methoxyethyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium.

Molecular Properties

• Compound Name: 2-methoxyethyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
• PubChem CID: 8711076
• Molecular Formula: C19H29N4O3S+
• Molecular Weight: 393.53 g/mol
• Exact Mass: 393.20
• IUPAC Name: 2-methoxyethyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
• SMILES: COCC[NH+](CC(=O)N[C@H]1CCCC[C@@H]1C)Cc1nnc(-c2cccs2)o1
• InChI: InChI=1S/C19H28N4O3S/c1-14-6-3-4-7-15(14)20-17(24)12-23(9-10-25-2)13-18-21-22-19(26-18)16-8-5-11-27-16/h5,8,11,14-15H,3-4,6-7,9-10,12-13H2,1-2H3,(H,20,24)/p+1/t14-,15-/m0/s1
• InChIKey: DVNCGULKDDCOEU-GJZGRUSLSA-O
• XLogP: 1.52
• TPSA: 81.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.53
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?

The IUPAC name of 2-methoxyethyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium (CID 8711076) is 2-methoxyethyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium.

What is the SMILES notation for 2-methoxyethyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?

The canonical SMILES for 2-methoxyethyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium is COCC[NH+](CC(=O)N[C@H]1CCCC[C@@H]1C)Cc1nnc(-c2cccs2)o1.

What is the InChIKey of 2-methoxyethyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?

The InChIKey is DVNCGULKDDCOEU-GJZGRUSLSA-O. The full InChI is InChI=1S/C19H28N4O3S/c1-14-6-3-4-7-15(14)20-17(24)12-23(9-10-25-2)13-18-21-22-19(26-18)16-8-5-11-27-16/h5,8,11,14-15H,3-4,6-7,9-10,12-13H2,1-2H3,(H,20,24)/p+1/t14-,15-/m0/s1.

What are the key properties of 2-methoxyethyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?

2-methoxyethyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium has a molecular weight of 393.53 g/mol, XLogP of 1.52, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxyethyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium is sourced from PubChem (CID 8711076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).