2-[propyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol

C12H17N3O2S — CID 60775128

IUPAC2-[propyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
SMILESCCCN(CCO)Cc1noc(-c2ccsc2)n1
InChIInChI=1S/C12H17N3O2S/c1-2-4-15(5-6-16)8-11-13-12(17-14-11)10-3-7-18-9-10/h3,7,9,16H,2,4-6,8H2,1H3
InChIKeyRGYRPXKGLOHREQ-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.00
Rot. Bonds7

About 2-[propyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol

2-[propyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol (PubChem CID 60775128) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[propyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[propyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
PubChem CID60775128
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-[propyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
SMILESCCCN(CCO)Cc1noc(-c2ccsc2)n1
InChIInChI=1S/C12H17N3O2S/c1-2-4-15(5-6-16)8-11-13-12(17-14-11)10-3-7-18-9-10/h3,7,9,16H,2,4-6,8H2,1H3
InChIKeyRGYRPXKGLOHREQ-UHFFFAOYSA-N
XLogP2.00
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine
CID 112815205
2-[propyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 60696504
N-benzyl-1-phenyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 112812417
N-propyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine
CID 66215907
2-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 62016020
N-[(3-chlorophenyl)methyl]-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 112829057
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 47002355
2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61334504
2-[2-methoxyethyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
CID 115613587
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-propylamino]ethanol
CID 60775229
2-[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexan-1-ol
CID 102636569
2-methyl-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,3-diol
CID 75436513

Frequently Asked Questions

What is the IUPAC name of 2-[propyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol?
The IUPAC name of 2-[propyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol (CID 60775128) is 2-[propyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[propyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[propyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol is CCCN(CCO)Cc1noc(-c2ccsc2)n1.
What is the InChIKey of 2-[propyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol?
The InChIKey is RGYRPXKGLOHREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-2-4-15(5-6-16)8-11-13-12(17-14-11)10-3-7-18-9-10/h3,7,9,16H,2,4-6,8H2,1H3.
What are the key properties of 2-[propyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol?
2-[propyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol has a molecular weight of 267.35 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol is sourced from PubChem (CID 60775128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).