4-[methyl-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]butan-2-ol

C13H19N3O2S — CID 111488736

IUPAC4-[methyl-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]butan-2-ol
SMILESCC(O)CCN(C)C(C)c1nnc(-c2cccs2)o1
InChIInChI=1S/C13H19N3O2S/c1-9(17)6-7-16(3)10(2)12-14-15-13(18-12)11-5-4-8-19-11/h4-5,8-10,17H,6-7H2,1-3H3
InChIKeyBQQHTSSAPFJURP-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.56
Rot. Bonds6

About 4-[methyl-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]butan-2-ol

4-[methyl-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]butan-2-ol (PubChem CID 111488736) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-[methyl-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[methyl-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]butan-2-ol
PubChem CID111488736
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name4-[methyl-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]butan-2-ol
SMILESCC(O)CCN(C)C(C)c1nnc(-c2cccs2)o1
InChIInChI=1S/C13H19N3O2S/c1-9(17)6-7-16(3)10(2)12-14-15-13(18-12)11-5-4-8-19-11/h4-5,8-10,17H,6-7H2,1-3H3
InChIKeyBQQHTSSAPFJURP-UHFFFAOYSA-N
XLogP2.56
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[methyl-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]butan-2-ol with MolForge

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Related Compounds

(1R)-N-[2-(4-fluorophenyl)ethyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 95157002
(1S)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9046854
(1R)-N-[(2-chlorophenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9042861
(1S)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9055741
(1S)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9042506
N-methyl-4-[[methyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]benzamide
CID 9125681
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 17392897
N-(2-ethylphenyl)-2-[methyl-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]acetamide
CID 18197537
(1S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 8805811
N-methyl-1-thiophen-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 78827467
(2R)-1-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol
CID 95312496
(2S)-1-[4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol
CID 95312493

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]butan-2-ol?
The IUPAC name of 4-[methyl-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]butan-2-ol (CID 111488736) is 4-[methyl-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]butan-2-ol.
What is the SMILES notation for 4-[methyl-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]butan-2-ol?
The canonical SMILES for 4-[methyl-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]butan-2-ol is CC(O)CCN(C)C(C)c1nnc(-c2cccs2)o1.
What is the InChIKey of 4-[methyl-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]butan-2-ol?
The InChIKey is BQQHTSSAPFJURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-9(17)6-7-16(3)10(2)12-14-15-13(18-12)11-5-4-8-19-11/h4-5,8-10,17H,6-7H2,1-3H3.
What are the key properties of 4-[methyl-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]butan-2-ol?
4-[methyl-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]butan-2-ol has a molecular weight of 281.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]butan-2-ol is sourced from PubChem (CID 111488736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).