[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium

C21H25N4O2S+ — CID 9044641

About [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium (PubChem CID 9044641) has the molecular formula C21H25N4O2S+ and a molecular weight of 397.52 g/mol. Its IUPAC name is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium.

Molecular Properties

• Compound Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
• PubChem CID: 9044641
• Molecular Formula: C21H25N4O2S+
• Molecular Weight: 397.52 g/mol
• Exact Mass: 397.17
• IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
• SMILES: CCC[NH+](Cc1nnc(-c2cccs2)o1)[C@@H](C(=O)NC1CC1)c1ccccc1
• InChI: InChI=1S/C21H24N4O2S/c1-2-12-25(14-18-23-24-21(27-18)17-9-6-13-28-17)19(15-7-4-3-5-8-15)20(26)22-16-10-11-16/h3-9,13,16,19H,2,10-12,14H2,1H3,(H,22,26)/p+1/t19-/m1/s1
• InChIKey: WIZXJVZLKQIWDB-LJQANCHMSA-O
• XLogP: 2.61
• TPSA: 72.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.52
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?

The IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium (CID 9044641) is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium.

What is the SMILES notation for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?

The canonical SMILES for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium is CCC[NH+](Cc1nnc(-c2cccs2)o1)[C@@H](C(=O)NC1CC1)c1ccccc1.

What is the InChIKey of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?

The InChIKey is WIZXJVZLKQIWDB-LJQANCHMSA-O. The full InChI is InChI=1S/C21H24N4O2S/c1-2-12-25(14-18-23-24-21(27-18)17-9-6-13-28-17)19(15-7-4-3-5-8-15)20(26)22-16-10-11-16/h3-9,13,16,19H,2,10-12,14H2,1H3,(H,22,26)/p+1/t19-/m1/s1.

What are the key properties of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium has a molecular weight of 397.52 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium is sourced from PubChem (CID 9044641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).