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

C13H19N3O2S — CID 107203786

IUPAC5-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pentan-1-ol
SMILESCN(CCCCCO)Cc1noc(-c2cccs2)n1
InChIInChI=1S/C13H19N3O2S/c1-16(7-3-2-4-8-17)10-12-14-13(18-15-12)11-6-5-9-19-11/h5-6,9,17H,2-4,7-8,10H2,1H3
InChIKeyGHFDRXXFEIDLFJ-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.39
Rot. Bonds8

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

5-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pentan-1-ol (PubChem CID 107203786) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 5-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pentan-1-ol
PubChem CID107203786
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name5-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pentan-1-ol
SMILESCN(CCCCCO)Cc1noc(-c2cccs2)n1
InChIInChI=1S/C13H19N3O2S/c1-16(7-3-2-4-8-17)10-12-14-13(18-15-12)11-6-5-9-19-11/h5-6,9,17H,2-4,7-8,10H2,1H3
InChIKeyGHFDRXXFEIDLFJ-UHFFFAOYSA-N
XLogP2.39
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

2-methyl-2-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
CID 115638239
3-[propan-2-yl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
CID 60833768
4-N-methyl-4-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 79121097
2-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol
CID 60712307
N-propyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine
CID 66213913
2-[cyclopropylmethyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid
CID 43656421
(2R)-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methoxy]propanoic acid
CID 104875390
1,1-diphenyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 100682947
2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanol
CID 55067381
4-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]butanoic acid
CID 55006274
4-fluoro-N-[2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)ethyl]aniline
CID 1133765
N-(5-hydroxypentyl)-N-methylthiophene-2-carboxamide
CID 107202244

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pentan-1-ol?
The IUPAC name of 5-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pentan-1-ol (CID 107203786) is 5-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pentan-1-ol?
The canonical SMILES for 5-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pentan-1-ol is CN(CCCCCO)Cc1noc(-c2cccs2)n1.
What is the InChIKey of 5-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pentan-1-ol?
The InChIKey is GHFDRXXFEIDLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-16(7-3-2-4-8-17)10-12-14-13(18-15-12)11-6-5-9-19-11/h5-6,9,17H,2-4,7-8,10H2,1H3.
What are the key properties of 5-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pentan-1-ol?
5-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pentan-1-ol has a molecular weight of 281.38 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pentan-1-ol is sourced from PubChem (CID 107203786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).