N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-naphthalen-1-ylacetamide;hydrochloride

C19H23ClN4O2 — CID 120864901

IUPACN-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-naphthalen-1-ylacetamide;hydrochloride
SMILESCNC(C)Cc1noc(CNC(=O)Cc2cccc3ccccc23)n1.Cl
InChIInChI=1S/C19H22N4O2.ClH/c1-13(20-2)10-17-22-19(25-23-17)12-21-18(24)11-15-8-5-7-14-6-3-4-9-16(14)15;/h3-9,13,20H,10-12H2,1-2H3,(H,21,24);1H
InChIKeyBGCCSCDODQSYNV-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.65
Rot. Bonds7

About N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-naphthalen-1-ylacetamide;hydrochloride

N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-naphthalen-1-ylacetamide;hydrochloride (PubChem CID 120864901) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-naphthalen-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-naphthalen-1-ylacetamide;hydrochloride
PubChem CID120864901
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC NameN-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-naphthalen-1-ylacetamide;hydrochloride
SMILESCNC(C)Cc1noc(CNC(=O)Cc2cccc3ccccc23)n1.Cl
InChIInChI=1S/C19H22N4O2.ClH/c1-13(20-2)10-17-22-19(25-23-17)12-21-18(24)11-15-8-5-7-14-6-3-4-9-16(14)15;/h3-9,13,20H,10-12H2,1-2H3,(H,21,24);1H
InChIKeyBGCCSCDODQSYNV-UHFFFAOYSA-N
XLogP2.65
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide;hydrochloride
CID 120867875
N-[2-[2-(methylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 120831392
1-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-3-[(4-nitrophenyl)methyl]urea;hydrochloride
CID 120867059
1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride
CID 120866958
1-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 115078997
(2R)-N-methyl-1-naphthalen-1-ylpropan-2-amine
CID 142942326
N-methyl-1-[5-(2-naphthalen-1-ylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120866577
3-(2-methylindol-1-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 46992621
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-naphthalen-1-ylacetamide
CID 16866680
2-amino-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120834184
(2S)-2-amino-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide
CID 120834323
N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide
CID 120868060

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-naphthalen-1-ylacetamide;hydrochloride?
The IUPAC name of N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-naphthalen-1-ylacetamide;hydrochloride (CID 120864901) is N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-naphthalen-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-naphthalen-1-ylacetamide;hydrochloride?
The canonical SMILES for N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-naphthalen-1-ylacetamide;hydrochloride is CNC(C)Cc1noc(CNC(=O)Cc2cccc3ccccc23)n1.Cl.
What is the InChIKey of N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-naphthalen-1-ylacetamide;hydrochloride?
The InChIKey is BGCCSCDODQSYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2.ClH/c1-13(20-2)10-17-22-19(25-23-17)12-21-18(24)11-15-8-5-7-14-6-3-4-9-16(14)15;/h3-9,13,20H,10-12H2,1-2H3,(H,21,24);1H.
What are the key properties of N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-naphthalen-1-ylacetamide;hydrochloride?
N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-naphthalen-1-ylacetamide;hydrochloride has a molecular weight of 374.87 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-naphthalen-1-ylacetamide;hydrochloride is sourced from PubChem (CID 120864901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).