2-(1,2,4-oxadiazol-5-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine

C15H15N3OS — CID 103744700

IUPAC2-(1,2,4-oxadiazol-5-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
SMILESc1ccc(-c2ccc(CNCCc3ncno3)s2)cc1
InChIInChI=1S/C15H15N3OS/c1-2-4-12(5-3-1)14-7-6-13(20-14)10-16-9-8-15-17-11-18-19-15/h1-7,11,16H,8-10H2
InChIKeyGMQMVSJBWRGEKV-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.13
Rot. Bonds6

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

2-(1,2,4-oxadiazol-5-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine (PubChem CID 103744700) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(1,2,4-oxadiazol-5-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1,2,4-oxadiazol-5-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
PubChem CID103744700
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-(1,2,4-oxadiazol-5-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
SMILESc1ccc(-c2ccc(CNCCc3ncno3)s2)cc1
InChIInChI=1S/C15H15N3OS/c1-2-4-12(5-3-1)14-7-6-13(20-14)10-16-9-8-15-17-11-18-19-15/h1-7,11,16H,8-10H2
InChIKeyGMQMVSJBWRGEKV-UHFFFAOYSA-N
XLogP3.13
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(1,2,4-oxadiazol-5-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-(1,2,4-oxadiazol-5-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine (CID 103744700) is 2-(1,2,4-oxadiazol-5-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(1,2,4-oxadiazol-5-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(1,2,4-oxadiazol-5-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine is c1ccc(-c2ccc(CNCCc3ncno3)s2)cc1.
What is the InChIKey of 2-(1,2,4-oxadiazol-5-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine?
The InChIKey is GMQMVSJBWRGEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-2-4-12(5-3-1)14-7-6-13(20-14)10-16-9-8-15-17-11-18-19-15/h1-7,11,16H,8-10H2.
What are the key properties of 2-(1,2,4-oxadiazol-5-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine?
2-(1,2,4-oxadiazol-5-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine has a molecular weight of 285.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-oxadiazol-5-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 103744700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).