[(2R)-1-anilino-1-oxopropan-2-yl]-(2-methoxyethyl)-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium

C19H23N4O3S+ — CID 9375093

About [(2R)-1-anilino-1-oxopropan-2-yl]-(2-methoxyethyl)-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium

[(2R)-1-anilino-1-oxopropan-2-yl]-(2-methoxyethyl)-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium (PubChem CID 9375093) has the molecular formula C19H23N4O3S+ and a molecular weight of 387.49 g/mol. Its IUPAC name is [(2R)-1-anilino-1-oxopropan-2-yl]-(2-methoxyethyl)-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium.

Molecular Properties

• Compound Name: [(2R)-1-anilino-1-oxopropan-2-yl]-(2-methoxyethyl)-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
• PubChem CID: 9375093
• Molecular Formula: C19H23N4O3S+
• Molecular Weight: 387.49 g/mol
• Exact Mass: 387.15
• IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl]-(2-methoxyethyl)-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
• SMILES: COCC[NH+](Cc1nnc(-c2cccs2)o1)[C@H](C)C(=O)Nc1ccccc1
• InChI: InChI=1S/C19H22N4O3S/c1-14(18(24)20-15-7-4-3-5-8-15)23(10-11-25-2)13-17-21-22-19(26-17)16-9-6-12-27-16/h3-9,12,14H,10-11,13H2,1-2H3,(H,20,24)/p+1/t14-/m1/s1
• InChIKey: SQFNCKOSPUHBDO-CQSZACIVSA-O
• XLogP: 1.86
• 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	387.49
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-anilino-1-oxopropan-2-yl]-(2-methoxyethyl)-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?

The IUPAC name of [(2R)-1-anilino-1-oxopropan-2-yl]-(2-methoxyethyl)-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium (CID 9375093) is [(2R)-1-anilino-1-oxopropan-2-yl]-(2-methoxyethyl)-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium.

What is the SMILES notation for [(2R)-1-anilino-1-oxopropan-2-yl]-(2-methoxyethyl)-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?

The canonical SMILES for [(2R)-1-anilino-1-oxopropan-2-yl]-(2-methoxyethyl)-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium is COCC[NH+](Cc1nnc(-c2cccs2)o1)[C@H](C)C(=O)Nc1ccccc1.

What is the InChIKey of [(2R)-1-anilino-1-oxopropan-2-yl]-(2-methoxyethyl)-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?

The InChIKey is SQFNCKOSPUHBDO-CQSZACIVSA-O. The full InChI is InChI=1S/C19H22N4O3S/c1-14(18(24)20-15-7-4-3-5-8-15)23(10-11-25-2)13-17-21-22-19(26-17)16-9-6-12-27-16/h3-9,12,14H,10-11,13H2,1-2H3,(H,20,24)/p+1/t14-/m1/s1.

What are the key properties of [(2R)-1-anilino-1-oxopropan-2-yl]-(2-methoxyethyl)-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?

[(2R)-1-anilino-1-oxopropan-2-yl]-(2-methoxyethyl)-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium has a molecular weight of 387.49 g/mol, XLogP of 1.86, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-anilino-1-oxopropan-2-yl]-(2-methoxyethyl)-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium is sourced from PubChem (CID 9375093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).