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

C11H14N2OS — CID 115084790

IUPACN-methyl-2-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine
SMILESCNCCc1coc(Cc2cccs2)n1
InChIInChI=1S/C11H14N2OS/c1-12-5-4-9-8-14-11(13-9)7-10-3-2-6-15-10/h2-3,6,8,12H,4-5,7H2,1H3
InChIKeyWISHXKSUPPIKHY-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.09
Rot. Bonds5

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

N-methyl-2-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine (PubChem CID 115084790) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-methyl-2-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine
PubChem CID115084790
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-methyl-2-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine
SMILESCNCCc1coc(Cc2cccs2)n1
InChIInChI=1S/C11H14N2OS/c1-12-5-4-9-8-14-11(13-9)7-10-3-2-6-15-10/h2-3,6,8,12H,4-5,7H2,1H3
InChIKeyWISHXKSUPPIKHY-UHFFFAOYSA-N
XLogP2.09
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine
CID 115084120
N-methyl-2-[2-(2-methylpropyl)-1,3-oxazol-4-yl]ethanamine
CID 115084221
N-methyl-3-[2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 115087589
2-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-oxazol-4-yl]-N-methylethanamine
CID 115082531
N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
CID 115227113
N-methyl-2-[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]ethanamine
CID 115464235
N-methyl-1-[2-(thiophen-2-ylmethyl)pyrimidin-4-yl]methanamine
CID 62748083
N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 4719998
2-methyl-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole
CID 131065798
N-methyl-1-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 62502528
5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 63692065
N-methyl-3-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115082563

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine?
The IUPAC name of N-methyl-2-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine (CID 115084790) is N-methyl-2-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-2-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine is CNCCc1coc(Cc2cccs2)n1.
What is the InChIKey of N-methyl-2-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine?
The InChIKey is WISHXKSUPPIKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-12-5-4-9-8-14-11(13-9)7-10-3-2-6-15-10/h2-3,6,8,12H,4-5,7H2,1H3.
What are the key properties of N-methyl-2-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine?
N-methyl-2-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine has a molecular weight of 222.31 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine is sourced from PubChem (CID 115084790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).