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

C13H13ClN2O3 — CID 117450688

IUPAC5-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-amine
SMILESCOc1cc(-c2cc(N)no2)c(Cl)c2c1OC(C)C2
InChIInChI=1S/C13H13ClN2O3/c1-6-3-8-12(14)7(9-5-11(15)16-19-9)4-10(17-2)13(8)18-6/h4-6H,3H2,1-2H3,(H2,15,16)
InChIKeyOVYKYWIXIFZULO-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.91
Rot. Bonds2

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

5-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-amine (PubChem CID 117450688) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 5-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-amine
PubChem CID117450688
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name5-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-amine
SMILESCOc1cc(-c2cc(N)no2)c(Cl)c2c1OC(C)C2
InChIInChI=1S/C13H13ClN2O3/c1-6-3-8-12(14)7(9-5-11(15)16-19-9)4-10(17-2)13(8)18-6/h4-6H,3H2,1-2H3,(H2,15,16)
InChIKeyOVYKYWIXIFZULO-UHFFFAOYSA-N
XLogP2.91
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-amine with MolForge

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Related Compounds

1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
CID 117387211
5-(2-chloro-5-methoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117349810
5-(3-chloro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117389690
2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 117358659
5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117425219
5-(5-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
CID 117358471
5-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 117454242
2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 117452458
5-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
CID 117465476
5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine
CID 117373049
5-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117425013
1-[(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine
CID 117478246

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-amine (CID 117450688) is 5-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-amine is COc1cc(-c2cc(N)no2)c(Cl)c2c1OC(C)C2.
What is the InChIKey of 5-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-amine?
The InChIKey is OVYKYWIXIFZULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-6-3-8-12(14)7(9-5-11(15)16-19-9)4-10(17-2)13(8)18-6/h4-6H,3H2,1-2H3,(H2,15,16).
What are the key properties of 5-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-amine?
5-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-amine has a molecular weight of 280.71 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117450688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).