1-(7-methoxy-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine

C15H16N2O3 — CID 104578623

IUPAC1-(7-methoxy-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine
SMILESCOc1cccc2cc(C(C)NCc3ccno3)oc12
InChIInChI=1S/C15H16N2O3/c1-10(16-9-12-6-7-17-20-12)14-8-11-4-3-5-13(18-2)15(11)19-14/h3-8,10,16H,9H2,1-2H3
InChIKeyRZTFHASFKJGGSC-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.28
Rot. Bonds5

About 1-(7-methoxy-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine

1-(7-methoxy-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine (PubChem CID 104578623) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(7-methoxy-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(7-methoxy-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine
PubChem CID104578623
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-(7-methoxy-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine
SMILESCOc1cccc2cc(C(C)NCc3ccno3)oc12
InChIInChI=1S/C15H16N2O3/c1-10(16-9-12-6-7-17-20-12)14-8-11-4-3-5-13(18-2)15(11)19-14/h3-8,10,16H,9H2,1-2H3
InChIKeyRZTFHASFKJGGSC-UHFFFAOYSA-N
XLogP3.28
TPSA60.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(7-methoxy-1-benzofuran-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 61014584
3,3,3-trifluoro-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63225887
1-(7-methoxy-1-benzofuran-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 60979032
(1R)-1-(4-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 39965978
(1R)-1-(7-methoxy-1-benzofuran-2-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]ethanamine
CID 97031434
N-(cyclohexylmethyl)-1-(7-methoxy-1-benzofuran-2-yl)ethanamine
CID 43244143
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine
CID 104578626
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]hex-5-yn-1-amine
CID 103921979
2-[1-(1,2-oxazol-5-ylmethylamino)ethyl]benzene-1,3-diol
CID 106415565
1-(3-bromo-4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 113219579
1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine
CID 82715428
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115905866

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine?
The IUPAC name of 1-(7-methoxy-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine (CID 104578623) is 1-(7-methoxy-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-(7-methoxy-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine?
The canonical SMILES for 1-(7-methoxy-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine is COc1cccc2cc(C(C)NCc3ccno3)oc12.
What is the InChIKey of 1-(7-methoxy-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine?
The InChIKey is RZTFHASFKJGGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10(16-9-12-6-7-17-20-12)14-8-11-4-3-5-13(18-2)15(11)19-14/h3-8,10,16H,9H2,1-2H3.
What are the key properties of 1-(7-methoxy-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine?
1-(7-methoxy-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine has a molecular weight of 272.30 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 104578623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).