1-[5-[2-(4-methoxyphenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

C15H21N3O2S — CID 120866147

IUPAC1-[5-[2-(4-methoxyphenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(CCSc2ccc(OC)cc2)n1
InChIInChI=1S/C15H21N3O2S/c1-11(16-2)10-14-17-15(20-18-14)8-9-21-13-6-4-12(19-3)5-7-13/h4-7,11,16H,8-10H2,1-3H3
InChIKeySHKIQQGVECDIBX-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.56
Rot. Bonds8

About 1-[5-[2-(4-methoxyphenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

1-[5-[2-(4-methoxyphenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (PubChem CID 120866147) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-[5-[2-(4-methoxyphenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-[2-(4-methoxyphenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
PubChem CID120866147
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-[5-[2-(4-methoxyphenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(CCSc2ccc(OC)cc2)n1
InChIInChI=1S/C15H21N3O2S/c1-11(16-2)10-14-17-15(20-18-14)8-9-21-13-6-4-12(19-3)5-7-13/h4-7,11,16H,8-10H2,1-3H3
InChIKeySHKIQQGVECDIBX-UHFFFAOYSA-N
XLogP2.56
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-[2-(4-methoxyphenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine with MolForge

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Related Compounds

3-[(4-Methoxyphenyl)sulfonylmethyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 45826082
5-[(3-Methoxyphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole
CID 47218244
3-Ethyl-5-[(3-methoxyphenyl)sulfonylmethyl]-1,2,4-oxadiazole
CID 52623278
3-[(4-Methoxyphenyl)sulfinylmethyl]-5-methyl-1,2,4-oxadiazole
CID 71932214
3-[(2-Fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 120893534
3-[(3-Fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 120893691
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide
CID 56789472
2-(4-methoxyphenyl)sulfanyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide
CID 9144239
(1R)-3-methylsulfanyl-1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 29782544
(1S)-3-methylsulfanyl-1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 29782548
3-Methylsulfanyl-1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 43109215
5-[(4-Methoxyphenyl)sulfanylmethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 45805807

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(4-methoxyphenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-[2-(4-methoxyphenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (CID 120866147) is 1-[5-[2-(4-methoxyphenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-[2-(4-methoxyphenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-[2-(4-methoxyphenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is CNC(C)Cc1noc(CCSc2ccc(OC)cc2)n1.
What is the InChIKey of 1-[5-[2-(4-methoxyphenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The InChIKey is SHKIQQGVECDIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-11(16-2)10-14-17-15(20-18-14)8-9-21-13-6-4-12(19-3)5-7-13/h4-7,11,16H,8-10H2,1-3H3.
What are the key properties of 1-[5-[2-(4-methoxyphenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
1-[5-[2-(4-methoxyphenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine has a molecular weight of 307.42 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(4-methoxyphenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 120866147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).