N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine

C17H18ClN3O2S — CID 55590960

IUPACN-[2-(3-chlorophenoxy)ethyl]-N-methyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(c1nc(-c2cccs2)no1)N(C)CCOc1cccc(Cl)c1
InChIInChI=1S/C17H18ClN3O2S/c1-12(17-19-16(20-23-17)15-7-4-10-24-15)21(2)8-9-22-14-6-3-5-13(18)11-14/h3-7,10-12H,8-9H2,1-2H3
InChIKeyPROZMXOJXCVFDO-UHFFFAOYSA-N
MW363.87 g/mol
LogP4.52
Rot. Bonds7

About N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine

N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 55590960) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-N-methyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID55590960
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-N-methyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(c1nc(-c2cccs2)no1)N(C)CCOc1cccc(Cl)c1
InChIInChI=1S/C17H18ClN3O2S/c1-12(17-19-16(20-23-17)15-7-4-10-24-15)21(2)8-9-22-14-6-3-5-13(18)11-14/h3-7,10-12H,8-9H2,1-2H3
InChIKeyPROZMXOJXCVFDO-UHFFFAOYSA-N
XLogP4.52
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine with MolForge

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Related Compounds

(1S)-N-[(2-chlorophenyl)methyl]-N-methyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 51936492
(1R)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenoxyethyl)ethanamine
CID 95155397
5-[1-(4-ethoxyphenoxy)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 78853239
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide
CID 71985268
(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 40800258
2,6-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 78819673
3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propoxy]aniline
CID 61036000
N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 60752359
6-chloro-2-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3-benzoxazole
CID 55640401
5-(2,4-dichlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718742
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1-(1,2,4-oxadiazol-5-yl)ethanamine
CID 71866127
5-[(1R)-1-(4-methoxyphenyl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 33298119

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine (CID 55590960) is N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine is CC(c1nc(-c2cccs2)no1)N(C)CCOc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is PROZMXOJXCVFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c1-12(17-19-16(20-23-17)15-7-4-10-24-15)21(2)8-9-22-14-6-3-5-13(18)11-14/h3-7,10-12H,8-9H2,1-2H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 363.87 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 55590960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).