5-(4-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine

C11H7FN2OS — CID 115109718

IUPAC5-(4-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine
SMILESNc1cnoc1-c1cc2c(F)cccc2s1
InChIInChI=1S/C11H7FN2OS/c12-7-2-1-3-9-6(7)4-10(16-9)11-8(13)5-14-15-11/h1-5H,13H2
InChIKeyVBNHURASWSPFEP-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.28
Rot. Bonds1

About 5-(4-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine

5-(4-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine (PubChem CID 115109718) has the molecular formula C11H7FN2OS and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-(4-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-(4-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine
PubChem CID115109718
Molecular FormulaC11H7FN2OS
Molecular Weight234.26 g/mol
Exact Mass234.03
IUPAC Name5-(4-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine
SMILESNc1cnoc1-c1cc2c(F)cccc2s1
InChIInChI=1S/C11H7FN2OS/c12-7-2-1-3-9-6(7)4-10(16-9)11-8(13)5-14-15-11/h1-5H,13H2
InChIKeyVBNHURASWSPFEP-UHFFFAOYSA-N
XLogP3.28
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine
CID 115109641
5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine
CID 115109627
5-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-4-amine
CID 82390701
5-(7-fluoro-1H-indol-3-yl)-1,2-oxazol-4-amine
CID 136986148
2-(4-fluoro-1-benzothiophen-2-yl)pyridine
CID 102139061
5-(3-chlorophenyl)-1,2-oxazol-4-amine
CID 82400734
5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine
CID 105485175
1-(4-fluoro-1-benzothiophen-2-yl)propan-2-one
CID 117194420
5-(4-fluorophenyl)-1,2-oxazol-4-amine
CID 82410181
1-(4-fluoro-1-benzothiophen-2-yl)propan-2-ol
CID 117120021
5-phenyl-1,2-oxazol-4-amine
CID 45117984
3-(4-fluoro-1-benzothiophen-2-yl)propan-1-amine
CID 117120043

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine?
The IUPAC name of 5-(4-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine (CID 115109718) is 5-(4-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine.
What is the SMILES notation for 5-(4-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine?
The canonical SMILES for 5-(4-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine is Nc1cnoc1-c1cc2c(F)cccc2s1.
What is the InChIKey of 5-(4-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine?
The InChIKey is VBNHURASWSPFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2OS/c12-7-2-1-3-9-6(7)4-10(16-9)11-8(13)5-14-15-11/h1-5H,13H2.
What are the key properties of 5-(4-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine?
5-(4-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine has a molecular weight of 234.26 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine is sourced from PubChem (CID 115109718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).