3-chloro-N-[2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide;hydrochloride

C18H24Cl2N4O2 — CID 120834977

IUPAC3-chloro-N-[2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide;hydrochloride
SMILESCC(C)(NC(=O)c1cccc(Cl)c1)c1noc(C2(C)CCCCN2)n1.Cl
InChIInChI=1S/C18H23ClN4O2.ClH/c1-17(2,22-14(24)12-7-6-8-13(19)11-12)15-21-16(25-23-15)18(3)9-4-5-10-20-18;/h6-8,11,20H,4-5,9-10H2,1-3H3,(H,22,24);1H
InChIKeyPJRCHJBRYNEJAG-UHFFFAOYSA-N
MW399.32 g/mol
LogP3.80
Rot. Bonds4

About 3-chloro-N-[2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide;hydrochloride

3-chloro-N-[2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide;hydrochloride (PubChem CID 120834977) has the molecular formula C18H24Cl2N4O2 and a molecular weight of 399.32 g/mol. Its IUPAC name is 3-chloro-N-[2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-N-[2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide;hydrochloride
PubChem CID120834977
Molecular FormulaC18H24Cl2N4O2
Molecular Weight399.32 g/mol
Exact Mass398.13
IUPAC Name3-chloro-N-[2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide;hydrochloride
SMILESCC(C)(NC(=O)c1cccc(Cl)c1)c1noc(C2(C)CCCCN2)n1.Cl
InChIInChI=1S/C18H23ClN4O2.ClH/c1-17(2,22-14(24)12-7-6-8-13(19)11-12)15-21-16(25-23-15)18(3)9-4-5-10-20-18;/h6-8,11,20H,4-5,9-10H2,1-3H3,(H,22,24);1H
InChIKeyPJRCHJBRYNEJAG-UHFFFAOYSA-N
XLogP3.80
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
N-[2-[5-[5-(aminomethyl)oxolan-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide
CID 128995742
3-(2-ethoxypropan-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 116704540
(3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580557
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-fluorobenzamide
CID 51099069
3-(3,4-dichlorophenyl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 81491739
N,N-dimethyl-1-[4-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120842058
N-[2-[5-[3-(3-chlorophenyl)-3-hydroxycyclobutyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 126830986
3-[(3-methylphenyl)sulfanylmethyl]-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 104597617
3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120840882

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide;hydrochloride?
The IUPAC name of 3-chloro-N-[2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide;hydrochloride (CID 120834977) is 3-chloro-N-[2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide;hydrochloride.
What is the SMILES notation for 3-chloro-N-[2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide;hydrochloride?
The canonical SMILES for 3-chloro-N-[2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide;hydrochloride is CC(C)(NC(=O)c1cccc(Cl)c1)c1noc(C2(C)CCCCN2)n1.Cl.
What is the InChIKey of 3-chloro-N-[2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide;hydrochloride?
The InChIKey is PJRCHJBRYNEJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2.ClH/c1-17(2,22-14(24)12-7-6-8-13(19)11-12)15-21-16(25-23-15)18(3)9-4-5-10-20-18;/h6-8,11,20H,4-5,9-10H2,1-3H3,(H,22,24);1H.
What are the key properties of 3-chloro-N-[2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide;hydrochloride?
3-chloro-N-[2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide;hydrochloride has a molecular weight of 399.32 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 120834977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).