2-[5-[4-(aminomethyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride

C17H23ClN4O3 — CID 120955587

IUPAC2-[5-[4-(aminomethyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(NC(=O)Cc2noc(C3(CN)CCOCC3)n2)cc1.Cl
InChIInChI=1S/C17H22N4O3.ClH/c1-12-2-4-13(5-3-12)19-15(22)10-14-20-16(24-21-14)17(11-18)6-8-23-9-7-17;/h2-5H,6-11,18H2,1H3,(H,19,22);1H
InChIKeySXUAVUWWGQQNOU-UHFFFAOYSA-N
MW366.85 g/mol
LogP1.99
Rot. Bonds5

About 2-[5-[4-(aminomethyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride

2-[5-[4-(aminomethyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride (PubChem CID 120955587) has the molecular formula C17H23ClN4O3 and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-[5-[4-(aminomethyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[5-[4-(aminomethyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride
PubChem CID120955587
Molecular FormulaC17H23ClN4O3
Molecular Weight366.85 g/mol
Exact Mass366.15
IUPAC Name2-[5-[4-(aminomethyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(NC(=O)Cc2noc(C3(CN)CCOCC3)n2)cc1.Cl
InChIInChI=1S/C17H22N4O3.ClH/c1-12-2-4-13(5-3-12)19-15(22)10-14-20-16(24-21-14)17(11-18)6-8-23-9-7-17;/h2-5H,6-11,18H2,1H3,(H,19,22);1H
InChIKeySXUAVUWWGQQNOU-UHFFFAOYSA-N
XLogP1.99
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-[4-(aminomethyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(aminomethyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[5-[4-(aminomethyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride (CID 120955587) is 2-[5-[4-(aminomethyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[5-[4-(aminomethyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[5-[4-(aminomethyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride is Cc1ccc(NC(=O)Cc2noc(C3(CN)CCOCC3)n2)cc1.Cl.
What is the InChIKey of 2-[5-[4-(aminomethyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride?
The InChIKey is SXUAVUWWGQQNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3.ClH/c1-12-2-4-13(5-3-12)19-15(22)10-14-20-16(24-21-14)17(11-18)6-8-23-9-7-17;/h2-5H,6-11,18H2,1H3,(H,19,22);1H.
What are the key properties of 2-[5-[4-(aminomethyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride?
2-[5-[4-(aminomethyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride has a molecular weight of 366.85 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(aminomethyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120955587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).