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

C15H15N3OS — CID 56676111

IUPAC2-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
SMILESc1ccc(CCNCc2coc(-c3cccs3)n2)nc1
InChIInChI=1S/C15H15N3OS/c1-2-7-17-12(4-1)6-8-16-10-13-11-19-15(18-13)14-5-3-9-20-14/h1-5,7,9,11,16H,6,8,10H2
InChIKeyFCCBOKBTXOVLPQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.13
Rot. Bonds6

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

2-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine (PubChem CID 56676111) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
PubChem CID56676111
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
SMILESc1ccc(CCNCc2coc(-c3cccs3)n2)nc1
InChIInChI=1S/C15H15N3OS/c1-2-7-17-12(4-1)6-8-16-10-13-11-19-15(18-13)14-5-3-9-20-14/h1-5,7,9,11,16H,6,8,10H2
InChIKeyFCCBOKBTXOVLPQ-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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Related Compounds

N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 645052
2-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide
CID 17470996
1-(thiophene-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide
CID 24234182
N-(2-ethoxypyridin-3-yl)thiophene-2-carboxamide
CID 34958268
2-(Pyrazol-1-ylmethyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine
CID 53557614
1-(4-methylmorpholin-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine
CID 53591985
4-[[2-(Pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 56780326
N,N-dimethyl-1-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 72043767
N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]heptan-2-amine
CID 46220399
2-({[5-Methyl-2-(3-methylthiophen-2-YL)-1,3-oxazol-4-YL]methyl}sulfanyl)-N-[(pyridin-3-YL)methyl]acetamide
CID 20860341
N-[2-(Furan-2-YL)ethyl]-5-(thiophen-2-YL)-1,3-oxazole-4-carboxamide
CID 20963626
(2S,4S)-4-(3-Pyridyloxy)-1-(2-thienylcarbonyl)tetrahydro-1H-pyrrole-2-carboxamide
CID 110199059

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine (CID 56676111) is 2-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine is c1ccc(CCNCc2coc(-c3cccs3)n2)nc1.
What is the InChIKey of 2-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The InChIKey is FCCBOKBTXOVLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-2-7-17-12(4-1)6-8-16-10-13-11-19-15(18-13)14-5-3-9-20-14/h1-5,7,9,11,16H,6,8,10H2.
What are the key properties of 2-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine?
2-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-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-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 56676111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).