1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine

C14H13FN2OS — CID 81104964

IUPAC1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1ncc(-c2cc3ccc(F)cc3s2)o1
InChIInChI=1S/C14H13FN2OS/c1-8(16-2)14-17-7-11(18-14)13-5-9-3-4-10(15)6-12(9)19-13/h3-8,16H,1-2H3
InChIKeyFRQYFTZABVDLRP-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.98
Rot. Bonds3

About 1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine

1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine (PubChem CID 81104964) has the molecular formula C14H13FN2OS and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
PubChem CID81104964
Molecular FormulaC14H13FN2OS
Molecular Weight276.34 g/mol
Exact Mass276.07
IUPAC Name1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1ncc(-c2cc3ccc(F)cc3s2)o1
InChIInChI=1S/C14H13FN2OS/c1-8(16-2)14-17-7-11(18-14)13-5-9-3-4-10(15)6-12(9)19-13/h3-8,16H,1-2H3
InChIKeyFRQYFTZABVDLRP-UHFFFAOYSA-N
XLogP3.98
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine (CID 81104964) is 1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine is CNC(C)c1ncc(-c2cc3ccc(F)cc3s2)o1.
What is the InChIKey of 1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine?
The InChIKey is FRQYFTZABVDLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS/c1-8(16-2)14-17-7-11(18-14)13-5-9-3-4-10(15)6-12(9)19-13/h3-8,16H,1-2H3.
What are the key properties of 1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine?
1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine has a molecular weight of 276.34 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 81104964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).