[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium

C19H22ClN4O3+ — CID 9370905

About [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium

[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium (PubChem CID 9370905) has the molecular formula C19H22ClN4O3+ and a molecular weight of 389.86 g/mol. Its IUPAC name is [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium.

Molecular Properties

• Compound Name: [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
• PubChem CID: 9370905
• Molecular Formula: C19H22ClN4O3+
• Molecular Weight: 389.86 g/mol
• Exact Mass: 389.14
• IUPAC Name: [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
• SMILES: CCC[NH+](Cc1nnc(-c2ccco2)o1)[C@H](C)C(=O)Nc1ccc(Cl)cc1
• InChI: InChI=1S/C19H21ClN4O3/c1-3-10-24(12-17-22-23-19(27-17)16-5-4-11-26-16)13(2)18(25)21-15-8-6-14(20)7-9-15/h4-9,11,13H,3,10,12H2,1-2H3,(H,21,25)/p+1/t13-/m1/s1
• InChIKey: WUUVTYVQRXSJEP-CYBMUJFWSA-O
• XLogP: 2.81
• TPSA: 85.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.86
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium?

The IUPAC name of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium (CID 9370905) is [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium.

What is the SMILES notation for [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium?

The canonical SMILES for [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium is CCC[NH+](Cc1nnc(-c2ccco2)o1)[C@H](C)C(=O)Nc1ccc(Cl)cc1.

What is the InChIKey of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium?

The InChIKey is WUUVTYVQRXSJEP-CYBMUJFWSA-O. The full InChI is InChI=1S/C19H21ClN4O3/c1-3-10-24(12-17-22-23-19(27-17)16-5-4-11-26-16)13(2)18(25)21-15-8-6-14(20)7-9-15/h4-9,11,13H,3,10,12H2,1-2H3,(H,21,25)/p+1/t13-/m1/s1.

What are the key properties of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium?

[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium has a molecular weight of 389.86 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium is sourced from PubChem (CID 9370905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).