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

C15H21N3O2S — CID 62016020

IUPAC2-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
SMILESOCCN(Cc1noc(-c2ccsc2)n1)C1CCCCC1
InChIInChI=1S/C15H21N3O2S/c19-8-7-18(13-4-2-1-3-5-13)10-14-16-15(20-17-14)12-6-9-21-11-12/h6,9,11,13,19H,1-5,7-8,10H2
InChIKeyYMESXLBMQTVUCC-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.93
Rot. Bonds6

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

2-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol (PubChem CID 62016020) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
PubChem CID62016020
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name2-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
SMILESOCCN(Cc1noc(-c2ccsc2)n1)C1CCCCC1
InChIInChI=1S/C15H21N3O2S/c19-8-7-18(13-4-2-1-3-5-13)10-14-16-15(20-17-14)12-6-9-21-11-12/h6,9,11,13,19H,1-5,7-8,10H2
InChIKeyYMESXLBMQTVUCC-UHFFFAOYSA-N
XLogP2.93
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol?
The IUPAC name of 2-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol (CID 62016020) is 2-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol is OCCN(Cc1noc(-c2ccsc2)n1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol?
The InChIKey is YMESXLBMQTVUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c19-8-7-18(13-4-2-1-3-5-13)10-14-16-15(20-17-14)12-6-9-21-11-12/h6,9,11,13,19H,1-5,7-8,10H2.
What are the key properties of 2-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol?
2-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol has a molecular weight of 307.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol is sourced from PubChem (CID 62016020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).