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

C11H7FN2OS — CID 115109641

IUPAC5-(5-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine
SMILESNc1cnoc1-c1cc2cc(F)ccc2s1
InChIInChI=1S/C11H7FN2OS/c12-7-1-2-9-6(3-7)4-10(16-9)11-8(13)5-14-15-11/h1-5H,13H2
InChIKeyHTHSOOGQKCXNFC-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.28
Rot. Bonds1

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

5-(5-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine (PubChem CID 115109641) has the molecular formula C11H7FN2OS and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-(5-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-(5-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine
PubChem CID115109641
Molecular FormulaC11H7FN2OS
Molecular Weight234.26 g/mol
Exact Mass234.03
IUPAC Name5-(5-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine
SMILESNc1cnoc1-c1cc2cc(F)ccc2s1
InChIInChI=1S/C11H7FN2OS/c12-7-1-2-9-6(3-7)4-10(16-9)11-8(13)5-14-15-11/h1-5H,13H2
InChIKeyHTHSOOGQKCXNFC-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-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine
CID 115109627
5-(4-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine
CID 115109718
5-(4-fluorophenyl)-1,2-oxazol-4-amine
CID 82410181
N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]propan-2-amine
CID 114911177
(1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 55268334
5-[5-(trifluoromethyl)-1-benzothiophen-2-yl]-1,2-oxazol-3-amine
CID 115109928
(5-fluoro-1-benzothiophen-2-yl)methanol
CID 36995594
3-(1-benzothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine
CID 61406979
ethyl 5-fluoro-1-benzothiophene-2-carboxylate
CID 23261724
2-(ethylsulfanylmethyl)-5-fluoro-1-benzothiophene
CID 117176433
2-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-benzothiophen-5-amine
CID 167771781
ethyl 5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole-4-carboxylate
CID 81104544

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine?
The IUPAC name of 5-(5-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine (CID 115109641) is 5-(5-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine.
What is the SMILES notation for 5-(5-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine?
The canonical SMILES for 5-(5-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine is Nc1cnoc1-c1cc2cc(F)ccc2s1.
What is the InChIKey of 5-(5-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine?
The InChIKey is HTHSOOGQKCXNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2OS/c12-7-1-2-9-6(3-7)4-10(16-9)11-8(13)5-14-15-11/h1-5H,13H2.
What are the key properties of 5-(5-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine?
5-(5-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-(5-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine is sourced from PubChem (CID 115109641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).