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

C11H14N2O2S — CID 81128097

IUPAC2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNCCc1ncc(-c2sccc2OC)o1
InChIInChI=1S/C11H14N2O2S/c1-12-5-3-10-13-7-9(15-10)11-8(14-2)4-6-16-11/h4,6-7,12H,3,5H2,1-2H3
InChIKeyASEQOJCFDOWXAX-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.17
Rot. Bonds5

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

2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine (PubChem CID 81128097) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
PubChem CID81128097
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNCCc1ncc(-c2sccc2OC)o1
InChIInChI=1S/C11H14N2O2S/c1-12-5-3-10-13-7-9(15-10)11-8(14-2)4-6-16-11/h4,6-7,12H,3,5H2,1-2H3
InChIKeyASEQOJCFDOWXAX-UHFFFAOYSA-N
XLogP2.17
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 81128595
N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 81128462
N-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine
CID 65183488
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
N-[2-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182964
3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 65184545
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-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65182883
N-[3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65184894
N-ethyl-3-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65186772

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine (CID 81128097) is 2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine is CNCCc1ncc(-c2sccc2OC)o1.
What is the InChIKey of 2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine?
The InChIKey is ASEQOJCFDOWXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-12-5-3-10-13-7-9(15-10)11-8(14-2)4-6-16-11/h4,6-7,12H,3,5H2,1-2H3.
What are the key properties of 2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine?
2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine has a molecular weight of 238.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 81128097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).