4-(3-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine

C12H10N2O2 — CID 117305300

IUPAC4-(3-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine
SMILESCc1coc2cc(-c3cnoc3N)ccc12
InChIInChI=1S/C12H10N2O2/c1-7-6-15-11-4-8(2-3-9(7)11)10-5-14-16-12(10)13/h2-6H,13H2,1H3
InChIKeyWEIBRMYZOBGHBE-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.98
Rot. Bonds1

About 4-(3-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine

4-(3-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine (PubChem CID 117305300) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-(3-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine
PubChem CID117305300
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name4-(3-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine
SMILESCc1coc2cc(-c3cnoc3N)ccc12
InChIInChI=1S/C12H10N2O2/c1-7-6-15-11-4-8(2-3-9(7)11)10-5-14-16-12(10)13/h2-6H,13H2,1H3
InChIKeyWEIBRMYZOBGHBE-UHFFFAOYSA-N
XLogP2.98
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine
CID 117385048
4-(2-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine
CID 117305301
4-(1,2,3-trimethylindol-6-yl)-1,2-oxazol-5-amine
CID 117355368
4-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-5-amine
CID 117354707
4-(1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine
CID 117289787
4-(3-amino-4,5-dimethylphenyl)-1,2-oxazol-5-amine
CID 115112194
4-(3,4-difluoro-5-methylphenyl)-1,2-oxazol-5-amine
CID 117299829
2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline
CID 155718046
4-[3-(dimethylamino)phenyl]-1,2-oxazol-5-amine
CID 117291729
4-(3-ethylphenyl)-1,2-oxazol-5-amine
CID 117281180
4-[4-(2-methoxypropan-2-yl)phenyl]-1,2-oxazol-5-amine
CID 117336523
4-(2,3,4,5-tetramethylphenyl)-1,2-oxazol-5-amine
CID 117308300

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine (CID 117305300) is 4-(3-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine is Cc1coc2cc(-c3cnoc3N)ccc12.
What is the InChIKey of 4-(3-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine?
The InChIKey is WEIBRMYZOBGHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-7-6-15-11-4-8(2-3-9(7)11)10-5-14-16-12(10)13/h2-6H,13H2,1H3.
What are the key properties of 4-(3-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine?
4-(3-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine has a molecular weight of 214.22 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117305300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).