2-(1-methylpyrrolidin-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine

C15H21N3OS — CID 56675487

IUPAC2-(1-methylpyrrolidin-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
SMILESCN1CCCC1CCNCc1coc(-c2cccs2)n1
InChIInChI=1S/C15H21N3OS/c1-18-8-2-4-13(18)6-7-16-10-12-11-19-15(17-12)14-5-3-9-20-14/h3,5,9,11,13,16H,2,4,6-8,10H2,1H3
InChIKeyVCOJCSQUISGZSO-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.98
Rot. Bonds6

About 2-(1-methylpyrrolidin-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine

2-(1-methylpyrrolidin-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine (PubChem CID 56675487) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
PubChem CID56675487
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-(1-methylpyrrolidin-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
SMILESCN1CCCC1CCNCc1coc(-c2cccs2)n1
InChIInChI=1S/C15H21N3OS/c1-18-8-2-4-13(18)6-7-16-10-12-11-19-15(17-12)14-5-3-9-20-14/h3,5,9,11,13,16H,2,4,6-8,10H2,1H3
InChIKeyVCOJCSQUISGZSO-UHFFFAOYSA-N
XLogP2.98
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.98
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-methylpyrrolidin-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(1-methylpyrrolidin-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine (CID 56675487) is 2-(1-methylpyrrolidin-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(1-methylpyrrolidin-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(1-methylpyrrolidin-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine is CN1CCCC1CCNCc1coc(-c2cccs2)n1.
What is the InChIKey of 2-(1-methylpyrrolidin-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The InChIKey is VCOJCSQUISGZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-18-8-2-4-13(18)6-7-16-10-12-11-19-15(17-12)14-5-3-9-20-14/h3,5,9,11,13,16H,2,4,6-8,10H2,1H3.
What are the key properties of 2-(1-methylpyrrolidin-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine?
2-(1-methylpyrrolidin-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine has a molecular weight of 291.42 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 56675487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).