5-(4-methoxy-1-benzothiophen-5-yl)-1,2-oxazol-3-amine

C12H10N2O2S — CID 117367799

IUPAC5-(4-methoxy-1-benzothiophen-5-yl)-1,2-oxazol-3-amine
SMILESCOc1c(-c2cc(N)no2)ccc2sccc12
InChIInChI=1S/C12H10N2O2S/c1-15-12-7(9-6-11(13)14-16-9)2-3-10-8(12)4-5-17-10/h2-6H,1H3,(H2,13,14)
InChIKeyYAAXSKIDPJTNMJ-UHFFFAOYSA-N
MW246.29 g/mol
LogP3.15
Rot. Bonds2

About 5-(4-methoxy-1-benzothiophen-5-yl)-1,2-oxazol-3-amine

5-(4-methoxy-1-benzothiophen-5-yl)-1,2-oxazol-3-amine (PubChem CID 117367799) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is 5-(4-methoxy-1-benzothiophen-5-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-methoxy-1-benzothiophen-5-yl)-1,2-oxazol-3-amine
PubChem CID117367799
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Name5-(4-methoxy-1-benzothiophen-5-yl)-1,2-oxazol-3-amine
SMILESCOc1c(-c2cc(N)no2)ccc2sccc12
InChIInChI=1S/C12H10N2O2S/c1-15-12-7(9-6-11(13)14-16-9)2-3-10-8(12)4-5-17-10/h2-6H,1H3,(H2,13,14)
InChIKeyYAAXSKIDPJTNMJ-UHFFFAOYSA-N
XLogP3.15
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117348486
5-(3-chloro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117389690
5-(2-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 117292510
5-(2,4-dimethoxy-3-methylsulfanylphenyl)-1,2-oxazol-3-amine
CID 117419900
5-(7-methoxy-1-benzofuran-4-yl)-1,2-oxazol-3-amine
CID 117332191
5-(4-methoxy-3-methyl-1H-indol-5-yl)-1,2-oxazol-3-amine
CID 117359651
5-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine
CID 117461608
5-[3-(1,1-difluoroethyl)-2-methoxyphenyl]-1,2-oxazol-3-amine
CID 117388330
5-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393411
5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66199204
5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117425219
5-(3,5-difluoro-2,6-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393405

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-1-benzothiophen-5-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-methoxy-1-benzothiophen-5-yl)-1,2-oxazol-3-amine (CID 117367799) is 5-(4-methoxy-1-benzothiophen-5-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-methoxy-1-benzothiophen-5-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-methoxy-1-benzothiophen-5-yl)-1,2-oxazol-3-amine is COc1c(-c2cc(N)no2)ccc2sccc12.
What is the InChIKey of 5-(4-methoxy-1-benzothiophen-5-yl)-1,2-oxazol-3-amine?
The InChIKey is YAAXSKIDPJTNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c1-15-12-7(9-6-11(13)14-16-9)2-3-10-8(12)4-5-17-10/h2-6H,1H3,(H2,13,14).
What are the key properties of 5-(4-methoxy-1-benzothiophen-5-yl)-1,2-oxazol-3-amine?
5-(4-methoxy-1-benzothiophen-5-yl)-1,2-oxazol-3-amine has a molecular weight of 246.29 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-1-benzothiophen-5-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117367799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).