5-(7-methoxy-1-benzothiophen-2-yl)-1,2-oxazol-3-amine

C12H10N2O2S — CID 115109832

IUPAC5-(7-methoxy-1-benzothiophen-2-yl)-1,2-oxazol-3-amine
SMILESCOc1cccc2cc(-c3cc(N)no3)sc12
InChIInChI=1S/C12H10N2O2S/c1-15-8-4-2-3-7-5-10(17-12(7)8)9-6-11(13)14-16-9/h2-6H,1H3,(H2,13,14)
InChIKeyJRSWBJYBQLGRGA-UHFFFAOYSA-N
MW246.29 g/mol
LogP3.15
Rot. Bonds2

About 5-(7-methoxy-1-benzothiophen-2-yl)-1,2-oxazol-3-amine

5-(7-methoxy-1-benzothiophen-2-yl)-1,2-oxazol-3-amine (PubChem CID 115109832) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is 5-(7-methoxy-1-benzothiophen-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(7-methoxy-1-benzothiophen-2-yl)-1,2-oxazol-3-amine
PubChem CID115109832
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Name5-(7-methoxy-1-benzothiophen-2-yl)-1,2-oxazol-3-amine
SMILESCOc1cccc2cc(-c3cc(N)no3)sc12
InChIInChI=1S/C12H10N2O2S/c1-15-8-4-2-3-7-5-10(17-12(7)8)9-6-11(13)14-16-9/h2-6H,1H3,(H2,13,14)
InChIKeyJRSWBJYBQLGRGA-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-(7-methoxy-1-benzofuran-2-yl)-1,2-oxazol-3-amine
CID 71480898
6-(7-methoxy-1-benzothiophen-2-yl)pyridin-3-amine
CID 115110710
5-[2-methoxy-6-(methoxymethyl)phenyl]-1,2-oxazol-3-amine
CID 117340239
5-(3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 117373531
5-(2,6-difluoro-3,5-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393407
5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 82112667
5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine
CID 82114977
2-(3-amino-1,2-oxazol-5-yl)-6-methoxy-3-methylphenol
CID 136993784
5-(2-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 117292510
5-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 117349806
5-(2-chloro-5-methoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117349810
5-[5-(trifluoromethyl)-1-benzothiophen-2-yl]-1,2-oxazol-3-amine
CID 115109928

Frequently Asked Questions

What is the IUPAC name of 5-(7-methoxy-1-benzothiophen-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(7-methoxy-1-benzothiophen-2-yl)-1,2-oxazol-3-amine (CID 115109832) is 5-(7-methoxy-1-benzothiophen-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(7-methoxy-1-benzothiophen-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(7-methoxy-1-benzothiophen-2-yl)-1,2-oxazol-3-amine is COc1cccc2cc(-c3cc(N)no3)sc12.
What is the InChIKey of 5-(7-methoxy-1-benzothiophen-2-yl)-1,2-oxazol-3-amine?
The InChIKey is JRSWBJYBQLGRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c1-15-8-4-2-3-7-5-10(17-12(7)8)9-6-11(13)14-16-9/h2-6H,1H3,(H2,13,14).
What are the key properties of 5-(7-methoxy-1-benzothiophen-2-yl)-1,2-oxazol-3-amine?
5-(7-methoxy-1-benzothiophen-2-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-(7-methoxy-1-benzothiophen-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 115109832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).