N-cyclopropyl-3-[5-(propylaminomethyl)-1,2,4-oxadiazol-3-yl]benzamide;hydrochloride

C16H21ClN4O2 — CID 46736914

IUPACN-cyclopropyl-3-[5-(propylaminomethyl)-1,2,4-oxadiazol-3-yl]benzamide;hydrochloride
SMILESCCCNCc1nc(-c2cccc(C(=O)NC3CC3)c2)no1.Cl
InChIInChI=1S/C16H20N4O2.ClH/c1-2-8-17-10-14-19-15(20-22-14)11-4-3-5-12(9-11)16(21)18-13-6-7-13;/h3-5,9,13,17H,2,6-8,10H2,1H3,(H,18,21);1H
InChIKeyWAYICYYEFBAUIT-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.55
Rot. Bonds7

About N-cyclopropyl-3-[5-(propylaminomethyl)-1,2,4-oxadiazol-3-yl]benzamide;hydrochloride

N-cyclopropyl-3-[5-(propylaminomethyl)-1,2,4-oxadiazol-3-yl]benzamide;hydrochloride (PubChem CID 46736914) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is N-cyclopropyl-3-[5-(propylaminomethyl)-1,2,4-oxadiazol-3-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-3-[5-(propylaminomethyl)-1,2,4-oxadiazol-3-yl]benzamide;hydrochloride
PubChem CID46736914
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC NameN-cyclopropyl-3-[5-(propylaminomethyl)-1,2,4-oxadiazol-3-yl]benzamide;hydrochloride
SMILESCCCNCc1nc(-c2cccc(C(=O)NC3CC3)c2)no1.Cl
InChIInChI=1S/C16H20N4O2.ClH/c1-2-8-17-10-14-19-15(20-22-14)11-4-3-5-12(9-11)16(21)18-13-6-7-13;/h3-5,9,13,17H,2,6-8,10H2,1H3,(H,18,21);1H
InChIKeyWAYICYYEFBAUIT-UHFFFAOYSA-N
XLogP2.55
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[5-(propylaminomethyl)-1,2,4-oxadiazol-3-yl]benzamide;hydrochloride?
The IUPAC name of N-cyclopropyl-3-[5-(propylaminomethyl)-1,2,4-oxadiazol-3-yl]benzamide;hydrochloride (CID 46736914) is N-cyclopropyl-3-[5-(propylaminomethyl)-1,2,4-oxadiazol-3-yl]benzamide;hydrochloride.
What is the SMILES notation for N-cyclopropyl-3-[5-(propylaminomethyl)-1,2,4-oxadiazol-3-yl]benzamide;hydrochloride?
The canonical SMILES for N-cyclopropyl-3-[5-(propylaminomethyl)-1,2,4-oxadiazol-3-yl]benzamide;hydrochloride is CCCNCc1nc(-c2cccc(C(=O)NC3CC3)c2)no1.Cl.
What is the InChIKey of N-cyclopropyl-3-[5-(propylaminomethyl)-1,2,4-oxadiazol-3-yl]benzamide;hydrochloride?
The InChIKey is WAYICYYEFBAUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2.ClH/c1-2-8-17-10-14-19-15(20-22-14)11-4-3-5-12(9-11)16(21)18-13-6-7-13;/h3-5,9,13,17H,2,6-8,10H2,1H3,(H,18,21);1H.
What are the key properties of N-cyclopropyl-3-[5-(propylaminomethyl)-1,2,4-oxadiazol-3-yl]benzamide;hydrochloride?
N-cyclopropyl-3-[5-(propylaminomethyl)-1,2,4-oxadiazol-3-yl]benzamide;hydrochloride has a molecular weight of 336.82 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[5-(propylaminomethyl)-1,2,4-oxadiazol-3-yl]benzamide;hydrochloride is sourced from PubChem (CID 46736914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).