2-methoxy-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine

C8H14N2O2S — CID 106925810

IUPAC2-methoxy-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine
SMILESCOCCNCCSc1ncco1
InChIInChI=1S/C8H14N2O2S/c1-11-5-2-9-4-7-13-8-10-3-6-12-8/h3,6,9H,2,4-5,7H2,1H3
InChIKeyNHVJBROROIZAHB-UHFFFAOYSA-N
MW202.28 g/mol
LogP1.00
Rot. Bonds7

About 2-methoxy-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine

2-methoxy-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine (PubChem CID 106925810) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-methoxy-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine
PubChem CID106925810
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name2-methoxy-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine
SMILESCOCCNCCSc1ncco1
InChIInChI=1S/C8H14N2O2S/c1-11-5-2-9-4-7-13-8-10-3-6-12-8/h3,6,9H,2,4-5,7H2,1H3
InChIKeyNHVJBROROIZAHB-UHFFFAOYSA-N
XLogP1.00
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 51.00
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-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]butan-1-amine
CID 106925756
2-methoxy-N-(2-pyrimidin-2-ylsulfanylethyl)ethanamine
CID 62579262
2-methoxy-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine
CID 62582269
N-[(5-chlorothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106925799
N-[(4-bromothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106925785
2-methoxy-N-(2-phenylsulfanylethyl)ethanamine
CID 60721151
4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine
CID 106927407
N-methyl-4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine
CID 106927457
4-(1,3-oxazol-2-ylsulfanyl)butan-2-one
CID 106923954
2-fluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]aniline
CID 106925735
2-(1,3-oxazol-2-ylsulfanylmethyl)-N-propylprop-2-en-1-amine
CID 106924246
N-(2-methoxyethyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 62580695

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine?
The IUPAC name of 2-methoxy-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine (CID 106925810) is 2-methoxy-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine is COCCNCCSc1ncco1.
What is the InChIKey of 2-methoxy-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine?
The InChIKey is NHVJBROROIZAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-11-5-2-9-4-7-13-8-10-3-6-12-8/h3,6,9H,2,4-5,7H2,1H3.
What are the key properties of 2-methoxy-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine?
2-methoxy-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine has a molecular weight of 202.28 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 106925810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).