2-[5-(2-chlorofuran-3-yl)-1,3-oxazol-2-yl]-N-methylethanamine

C10H11ClN2O2 — CID 106690347

IUPAC2-[5-(2-chlorofuran-3-yl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNCCc1ncc(-c2ccoc2Cl)o1
InChIInChI=1S/C10H11ClN2O2/c1-12-4-2-9-13-6-8(15-9)7-3-5-14-10(7)11/h3,5-6,12H,2,4H2,1H3
InChIKeyXEAHCHXOQMZVJE-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.35
Rot. Bonds4

About 2-[5-(2-chlorofuran-3-yl)-1,3-oxazol-2-yl]-N-methylethanamine

2-[5-(2-chlorofuran-3-yl)-1,3-oxazol-2-yl]-N-methylethanamine (PubChem CID 106690347) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 2-[5-(2-chlorofuran-3-yl)-1,3-oxazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(2-chlorofuran-3-yl)-1,3-oxazol-2-yl]-N-methylethanamine
PubChem CID106690347
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name2-[5-(2-chlorofuran-3-yl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNCCc1ncc(-c2ccoc2Cl)o1
InChIInChI=1S/C10H11ClN2O2/c1-12-4-2-9-13-6-8(15-9)7-3-5-14-10(7)11/h3,5-6,12H,2,4H2,1H3
InChIKeyXEAHCHXOQMZVJE-UHFFFAOYSA-N
XLogP2.35
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2-chlorofuran-3-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 106690357
2-[5-(furan-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65183444
2-[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 106690346
2-[5-(5-bromo-2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65183441
2-[5-(2-chlorofuran-3-yl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 106689618
2-[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65183235
N-[2-[5-(2-bromofuran-3-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 106856309
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65182883
3-[5-(5-chloro-2-methylphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 82891205
3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 65187006
2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65182889
2-[5-(3-chloro-5-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 81325065

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorofuran-3-yl)-1,3-oxazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(2-chlorofuran-3-yl)-1,3-oxazol-2-yl]-N-methylethanamine (CID 106690347) is 2-[5-(2-chlorofuran-3-yl)-1,3-oxazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(2-chlorofuran-3-yl)-1,3-oxazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(2-chlorofuran-3-yl)-1,3-oxazol-2-yl]-N-methylethanamine is CNCCc1ncc(-c2ccoc2Cl)o1.
What is the InChIKey of 2-[5-(2-chlorofuran-3-yl)-1,3-oxazol-2-yl]-N-methylethanamine?
The InChIKey is XEAHCHXOQMZVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-12-4-2-9-13-6-8(15-9)7-3-5-14-10(7)11/h3,5-6,12H,2,4H2,1H3.
What are the key properties of 2-[5-(2-chlorofuran-3-yl)-1,3-oxazol-2-yl]-N-methylethanamine?
2-[5-(2-chlorofuran-3-yl)-1,3-oxazol-2-yl]-N-methylethanamine has a molecular weight of 226.66 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorofuran-3-yl)-1,3-oxazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 106690347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).