2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine

C10H13N3O2S — CID 3752402

IUPAC2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESCOCCNCc1nnc(-c2cccs2)o1
InChIInChI=1S/C10H13N3O2S/c1-14-5-4-11-7-9-12-13-10(15-9)8-3-2-6-16-8/h2-3,6,11H,4-5,7H2,1H3
InChIKeyXLNRSGGKHIRGIB-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.53
Rot. Bonds6

About 2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine

2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (PubChem CID 3752402) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
PubChem CID3752402
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESCOCCNCc1nnc(-c2cccs2)o1
InChIInChI=1S/C10H13N3O2S/c1-14-5-4-11-7-9-12-13-10(15-9)8-3-2-6-16-8/h2-3,6,11H,4-5,7H2,1H3
InChIKeyXLNRSGGKHIRGIB-UHFFFAOYSA-N
XLogP1.53
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (CID 3752402) is 2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is COCCNCc1nnc(-c2cccs2)o1.
What is the InChIKey of 2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The InChIKey is XLNRSGGKHIRGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-14-5-4-11-7-9-12-13-10(15-9)8-3-2-6-16-8/h2-3,6,11H,4-5,7H2,1H3.
What are the key properties of 2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine has a molecular weight of 239.30 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 3752402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).