1-(1-benzofuran-2-yl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine

C15H16N2O2S — CID 106927426

IUPAC1-(1-benzofuran-2-yl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
SMILESCCNC(CSc1ncco1)c1cc2ccccc2o1
InChIInChI=1S/C15H16N2O2S/c1-2-16-12(10-20-15-17-7-8-18-15)14-9-11-5-3-4-6-13(11)19-14/h3-9,12,16H,2,10H2,1H3
InChIKeyLZPMGEQIIJGNQQ-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.86
Rot. Bonds6

About 1-(1-benzofuran-2-yl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine

1-(1-benzofuran-2-yl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine (PubChem CID 106927426) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
PubChem CID106927426
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name1-(1-benzofuran-2-yl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
SMILESCCNC(CSc1ncco1)c1cc2ccccc2o1
InChIInChI=1S/C15H16N2O2S/c1-2-16-12(10-20-15-17-7-8-18-15)14-9-11-5-3-4-6-13(11)19-14/h3-9,12,16H,2,10H2,1H3
InChIKeyLZPMGEQIIJGNQQ-UHFFFAOYSA-N
XLogP3.86
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzofuran-2-yl)-N-ethyl-2-pyrazin-2-ylsulfanylethanamine
CID 64628226
1-(1-benzofuran-2-yl)-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine
CID 64627448
1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632858
1-(3,5-dimethylphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106927383
N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 106927283
1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 114728644
1-(2,4-dimethoxyphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106927222
1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine
CID 63418453
1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 61064901
1-(1-benzofuran-2-yl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine
CID 107784125
1-(1-benzofuran-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)-N-ethylethanamine
CID 79177613
1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 113230976

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine (CID 106927426) is 1-(1-benzofuran-2-yl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine is CCNC(CSc1ncco1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The InChIKey is LZPMGEQIIJGNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-2-16-12(10-20-15-17-7-8-18-15)14-9-11-5-3-4-6-13(11)19-14/h3-9,12,16H,2,10H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
1-(1-benzofuran-2-yl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine has a molecular weight of 288.37 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 106927426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).