1-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine

C11H14N2O2S — CID 81129226

IUPAC1-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1ncc(-c2cc(OC)cs2)o1
InChIInChI=1S/C11H14N2O2S/c1-7(12-2)11-13-5-9(15-11)10-4-8(14-3)6-16-10/h4-7,12H,1-3H3
InChIKeyRMUVWWQKZNPWEV-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.69
Rot. Bonds4

About 1-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine

1-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine (PubChem CID 81129226) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
PubChem CID81129226
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name1-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1ncc(-c2cc(OC)cs2)o1
InChIInChI=1S/C11H14N2O2S/c1-7(12-2)11-13-5-9(15-11)10-4-8(14-3)6-16-10/h4-7,12H,1-3H3
InChIKeyRMUVWWQKZNPWEV-UHFFFAOYSA-N
XLogP2.69
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 81128594
3-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 81129006
N-methyl-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine
CID 65181733
4-methoxy-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-2-carboxamide
CID 97260854
1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 81104964
1-[5-(2-fluoro-6-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65432346
1-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65309801
N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181435
1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65181487
1-[5-(methoxymethyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65181732
N-ethyl-1-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181244
1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 107994722

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine (CID 81129226) is 1-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine is CNC(C)c1ncc(-c2cc(OC)cs2)o1.
What is the InChIKey of 1-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine?
The InChIKey is RMUVWWQKZNPWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-7(12-2)11-13-5-9(15-11)10-4-8(14-3)6-16-10/h4-7,12H,1-3H3.
What are the key properties of 1-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine?
1-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine has a molecular weight of 238.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 81129226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).