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

C12H9BrN2O3 — CID 117493833

IUPAC4-(4-bromo-7-methoxy-1-benzofuran-5-yl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cnoc2N)c(Br)c2ccoc12
InChIInChI=1S/C12H9BrN2O3/c1-16-9-4-7(8-5-15-18-12(8)14)10(13)6-2-3-17-11(6)9/h2-5H,14H2,1H3
InChIKeyBOXVIGVQCZPRFG-UHFFFAOYSA-N
MW309.12 g/mol
LogP3.44
Rot. Bonds2

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

4-(4-bromo-7-methoxy-1-benzofuran-5-yl)-1,2-oxazol-5-amine (PubChem CID 117493833) has the molecular formula C12H9BrN2O3 and a molecular weight of 309.12 g/mol. Its IUPAC name is 4-(4-bromo-7-methoxy-1-benzofuran-5-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-bromo-7-methoxy-1-benzofuran-5-yl)-1,2-oxazol-5-amine
PubChem CID117493833
Molecular FormulaC12H9BrN2O3
Molecular Weight309.12 g/mol
Exact Mass307.98
IUPAC Name4-(4-bromo-7-methoxy-1-benzofuran-5-yl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cnoc2N)c(Br)c2ccoc12
InChIInChI=1S/C12H9BrN2O3/c1-16-9-4-7(8-5-15-18-12(8)14)10(13)6-2-3-17-11(6)9/h2-5H,14H2,1H3
InChIKeyBOXVIGVQCZPRFG-UHFFFAOYSA-N
XLogP3.44
TPSA74.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.12
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol
CID 117458746
4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389663
1-(4-bromo-7-methoxy-1-benzofuran-5-yl)ethanamine
CID 117428275
4-(2-bromo-3-methoxy-6-methylphenyl)-1,2-oxazol-5-amine
CID 117454876
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117428577
4-(4-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117297113
1-(4-bromo-7-methoxy-1-benzofuran-5-yl)cyclopropan-1-amine
CID 117452995
4-(3-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117292477
4-(4-tert-butyl-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117442637
4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1,2-oxazol-5-amine
CID 117490148
4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 82365983
4-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117496003

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-7-methoxy-1-benzofuran-5-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-bromo-7-methoxy-1-benzofuran-5-yl)-1,2-oxazol-5-amine (CID 117493833) is 4-(4-bromo-7-methoxy-1-benzofuran-5-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-bromo-7-methoxy-1-benzofuran-5-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-bromo-7-methoxy-1-benzofuran-5-yl)-1,2-oxazol-5-amine is COc1cc(-c2cnoc2N)c(Br)c2ccoc12.
What is the InChIKey of 4-(4-bromo-7-methoxy-1-benzofuran-5-yl)-1,2-oxazol-5-amine?
The InChIKey is BOXVIGVQCZPRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O3/c1-16-9-4-7(8-5-15-18-12(8)14)10(13)6-2-3-17-11(6)9/h2-5H,14H2,1H3.
What are the key properties of 4-(4-bromo-7-methoxy-1-benzofuran-5-yl)-1,2-oxazol-5-amine?
4-(4-bromo-7-methoxy-1-benzofuran-5-yl)-1,2-oxazol-5-amine has a molecular weight of 309.12 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-7-methoxy-1-benzofuran-5-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117493833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).