(2S,5R)-5-(aminomethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide;hydrochloride

C16H21ClN4O3 — CID 120795867

About (2S,5R)-5-(aminomethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120795867) has the molecular formula C16H21ClN4O3 and a molecular weight of 352.82 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: (2S,5R)-5-(aminomethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide;hydrochloride
• PubChem CID: 120795867
• Molecular Formula: C16H21ClN4O3
• Molecular Weight: 352.82 g/mol
• Exact Mass: 352.13
• IUPAC Name: (2S,5R)-5-(aminomethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide;hydrochloride
• SMILES: CC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1noc(-c2ccccc2)n1.Cl
• InChI: InChI=1S/C16H20N4O3.ClH/c1-10(18-15(21)13-8-7-12(9-17)22-13)14-19-16(23-20-14)11-5-3-2-4-6-11;/h2-6,10,12-13H,7-9,17H2,1H3,(H,18,21);1H/t10?,12-,13+;/m1./s1
• InChIKey: CTSAGCYFLBPGMF-RLORDCFMSA-N
• XLogP: 1.84
• TPSA: 103.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.82
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide;hydrochloride?

The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide;hydrochloride (CID 120795867) is (2S,5R)-5-(aminomethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide;hydrochloride.

What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide;hydrochloride?

The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide;hydrochloride is CC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1noc(-c2ccccc2)n1.Cl.

What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide;hydrochloride?

The InChIKey is CTSAGCYFLBPGMF-RLORDCFMSA-N. The full InChI is InChI=1S/C16H20N4O3.ClH/c1-10(18-15(21)13-8-7-12(9-17)22-13)14-19-16(23-20-14)11-5-3-2-4-6-11;/h2-6,10,12-13H,7-9,17H2,1H3,(H,18,21);1H/t10?,12-,13+;/m1./s1.

What are the key properties of (2S,5R)-5-(aminomethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide;hydrochloride?

(2S,5R)-5-(aminomethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 352.82 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5R)-5-(aminomethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120795867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).