5-(7-methoxy-1-benzofuran-4-yl)-1,2-oxazol-3-amine

C12H10N2O3 — CID 117332191

IUPAC5-(7-methoxy-1-benzofuran-4-yl)-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2cc(N)no2)c2ccoc12
InChIInChI=1S/C12H10N2O3/c1-15-9-3-2-7(8-4-5-16-12(8)9)10-6-11(13)14-17-10/h2-6H,1H3,(H2,13,14)
InChIKeyBMQWLPMSARWQOP-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.68
Rot. Bonds2

About 5-(7-methoxy-1-benzofuran-4-yl)-1,2-oxazol-3-amine

5-(7-methoxy-1-benzofuran-4-yl)-1,2-oxazol-3-amine (PubChem CID 117332191) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 5-(7-methoxy-1-benzofuran-4-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(7-methoxy-1-benzofuran-4-yl)-1,2-oxazol-3-amine
PubChem CID117332191
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name5-(7-methoxy-1-benzofuran-4-yl)-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2cc(N)no2)c2ccoc12
InChIInChI=1S/C12H10N2O3/c1-15-9-3-2-7(8-4-5-16-12(8)9)10-6-11(13)14-17-10/h2-6H,1H3,(H2,13,14)
InChIKeyBMQWLPMSARWQOP-UHFFFAOYSA-N
XLogP2.68
TPSA74.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chloro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117389690
5-(2,4-dimethoxy-3-methylsulfanylphenyl)-1,2-oxazol-3-amine
CID 117419900
5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117348486
3-(3-amino-1,2-oxazol-5-yl)-2-fluoro-6-methoxyphenol
CID 117321250
5-(4-methoxy-1-benzothiophen-5-yl)-1,2-oxazol-3-amine
CID 117367799
5-(3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 117373531
5-(2-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 117292510
5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 117454912
5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 82112667
5-(5-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
CID 117358471
5-(5-bromo-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
CID 117462604
5-(2-methoxy-5-pentan-3-ylphenyl)-1,2-oxazol-3-amine
CID 117405267

Frequently Asked Questions

What is the IUPAC name of 5-(7-methoxy-1-benzofuran-4-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(7-methoxy-1-benzofuran-4-yl)-1,2-oxazol-3-amine (CID 117332191) is 5-(7-methoxy-1-benzofuran-4-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(7-methoxy-1-benzofuran-4-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(7-methoxy-1-benzofuran-4-yl)-1,2-oxazol-3-amine is COc1ccc(-c2cc(N)no2)c2ccoc12.
What is the InChIKey of 5-(7-methoxy-1-benzofuran-4-yl)-1,2-oxazol-3-amine?
The InChIKey is BMQWLPMSARWQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-15-9-3-2-7(8-4-5-16-12(8)9)10-6-11(13)14-17-10/h2-6H,1H3,(H2,13,14).
What are the key properties of 5-(7-methoxy-1-benzofuran-4-yl)-1,2-oxazol-3-amine?
5-(7-methoxy-1-benzofuran-4-yl)-1,2-oxazol-3-amine has a molecular weight of 230.22 g/mol, XLogP of 2.68, 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-benzofuran-4-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117332191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).