5-chloro-2-methoxy-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]aniline;hydrochloride

C14H20Cl2N4O2 — CID 120865950

IUPAC5-chloro-2-methoxy-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]aniline;hydrochloride
SMILESCNC(C)Cc1noc(CNc2cc(Cl)ccc2OC)n1.Cl
InChIInChI=1S/C14H19ClN4O2.ClH/c1-9(16-2)6-13-18-14(21-19-13)8-17-11-7-10(15)4-5-12(11)20-3;/h4-5,7,9,16-17H,6,8H2,1-3H3;1H
InChIKeyLASRAEDBWQHILP-UHFFFAOYSA-N
MW347.25 g/mol
LogP2.92
Rot. Bonds7

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

5-chloro-2-methoxy-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]aniline;hydrochloride (PubChem CID 120865950) has the molecular formula C14H20Cl2N4O2 and a molecular weight of 347.25 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]aniline;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]aniline;hydrochloride
PubChem CID120865950
Molecular FormulaC14H20Cl2N4O2
Molecular Weight347.25 g/mol
Exact Mass346.10
IUPAC Name5-chloro-2-methoxy-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]aniline;hydrochloride
SMILESCNC(C)Cc1noc(CNc2cc(Cl)ccc2OC)n1.Cl
InChIInChI=1S/C14H19ClN4O2.ClH/c1-9(16-2)6-13-18-14(21-19-13)8-17-11-7-10(15)4-5-12(11)20-3;/h4-5,7,9,16-17H,6,8H2,1-3H3;1H
InChIKeyLASRAEDBWQHILP-UHFFFAOYSA-N
XLogP2.92
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[(4-chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120868456
1-[5-[(2,5-dichlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866771
N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5-chloro-2-methoxyaniline;hydrochloride
CID 120851801
5-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-propoxyaniline
CID 87029729
4-chloro-N-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 47064204
N-[[3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 106818714
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methoxy-2-propan-2-yloxyaniline
CID 56782559
1-[5-[(4-chloronaphthalen-1-yl)oxymethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120869078
2-methoxy-N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
CID 120867400
1-[5-[(2-chloro-4-phenylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867396
4-chloro-2-fluoro-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 86919594
1-[5-[[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868191

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]aniline;hydrochloride?
The IUPAC name of 5-chloro-2-methoxy-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]aniline;hydrochloride (CID 120865950) is 5-chloro-2-methoxy-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]aniline;hydrochloride.
What is the SMILES notation for 5-chloro-2-methoxy-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]aniline;hydrochloride?
The canonical SMILES for 5-chloro-2-methoxy-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]aniline;hydrochloride is CNC(C)Cc1noc(CNc2cc(Cl)ccc2OC)n1.Cl.
What is the InChIKey of 5-chloro-2-methoxy-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]aniline;hydrochloride?
The InChIKey is LASRAEDBWQHILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2.ClH/c1-9(16-2)6-13-18-14(21-19-13)8-17-11-7-10(15)4-5-12(11)20-3;/h4-5,7,9,16-17H,6,8H2,1-3H3;1H.
What are the key properties of 5-chloro-2-methoxy-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]aniline;hydrochloride?
5-chloro-2-methoxy-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]aniline;hydrochloride has a molecular weight of 347.25 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]aniline;hydrochloride is sourced from PubChem (CID 120865950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).