N-[2-[5-[5-(aminomethyl)oxolan-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide

C17H21ClN4O3 — CID 128995742

IUPACN-[2-[5-[5-(aminomethyl)oxolan-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide
SMILESCC(C)(NC(=O)c1cccc(Cl)c1)c1noc(C2CCC(CN)O2)n1
InChIInChI=1S/C17H21ClN4O3/c1-17(2,21-14(23)10-4-3-5-11(18)8-10)16-20-15(25-22-16)13-7-6-12(9-19)24-13/h3-5,8,12-13H,6-7,9,19H2,1-2H3,(H,21,23)
InChIKeyZBLWQRJMXSDVKE-UHFFFAOYSA-N
MW364.83 g/mol
LogP2.57
Rot. Bonds5

About N-[2-[5-[5-(aminomethyl)oxolan-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide

N-[2-[5-[5-(aminomethyl)oxolan-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide (PubChem CID 128995742) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is N-[2-[5-[5-(aminomethyl)oxolan-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[5-[5-(aminomethyl)oxolan-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide
PubChem CID128995742
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC NameN-[2-[5-[5-(aminomethyl)oxolan-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide
SMILESCC(C)(NC(=O)c1cccc(Cl)c1)c1noc(C2CCC(CN)O2)n1
InChIInChI=1S/C17H21ClN4O3/c1-17(2,21-14(23)10-4-3-5-11(18)8-10)16-20-15(25-22-16)13-7-6-12(9-19)24-13/h3-5,8,12-13H,6-7,9,19H2,1-2H3,(H,21,23)
InChIKeyZBLWQRJMXSDVKE-UHFFFAOYSA-N
XLogP2.57
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[5-[5-(aminomethyl)oxolan-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide with MolForge

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Related Compounds

3-chloro-N-[2-[5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide;hydrochloride
CID 120834963
N-[2-[5-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide
CID 146088960
N-[2-[5-[amino-(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide
CID 120835013
(2S,5R)-5-(aminomethyl)-N-[2-(3-chlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120794225
3-chloro-N-[2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide;hydrochloride
CID 120834977
(2S,5R)-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-(aminomethyl)oxolane-2-carboxamide
CID 120795520
N-[2-[5-[3-(3-chlorophenyl)-3-hydroxycyclobutyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 126830986
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-fluorobenzamide
CID 51099069
4-cyclopropyl-3-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]benzamide
CID 129216377
N-(1-aminooxy-2-methylpropan-2-yl)-3-chlorobenzamide
CID 39347226
[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
CID 119031140
(2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120794223

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[5-(aminomethyl)oxolan-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide?
The IUPAC name of N-[2-[5-[5-(aminomethyl)oxolan-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide (CID 128995742) is N-[2-[5-[5-(aminomethyl)oxolan-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide.
What is the SMILES notation for N-[2-[5-[5-(aminomethyl)oxolan-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide?
The canonical SMILES for N-[2-[5-[5-(aminomethyl)oxolan-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide is CC(C)(NC(=O)c1cccc(Cl)c1)c1noc(C2CCC(CN)O2)n1.
What is the InChIKey of N-[2-[5-[5-(aminomethyl)oxolan-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide?
The InChIKey is ZBLWQRJMXSDVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3/c1-17(2,21-14(23)10-4-3-5-11(18)8-10)16-20-15(25-22-16)13-7-6-12(9-19)24-13/h3-5,8,12-13H,6-7,9,19H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[5-[5-(aminomethyl)oxolan-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide?
N-[2-[5-[5-(aminomethyl)oxolan-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide has a molecular weight of 364.83 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[5-(aminomethyl)oxolan-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide is sourced from PubChem (CID 128995742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).