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

C12H12N2O2 — CID 117308010

IUPAC5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-amine
SMILESCC1Cc2ccc(-c3cc(N)no3)cc2O1
InChIInChI=1S/C12H12N2O2/c1-7-4-8-2-3-9(5-10(8)15-7)11-6-12(13)14-16-11/h2-3,5-7H,4H2,1H3,(H2,13,14)
InChIKeyQQXFRVTZSXJMJQ-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.25
Rot. Bonds1

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

5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-amine (PubChem CID 117308010) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-amine
PubChem CID117308010
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-amine
SMILESCC1Cc2ccc(-c3cc(N)no3)cc2O1
InChIInChI=1S/C12H12N2O2/c1-7-4-8-2-3-9(5-10(8)15-7)11-6-12(13)14-16-11/h2-3,5-7H,4H2,1H3,(H2,13,14)
InChIKeyQQXFRVTZSXJMJQ-UHFFFAOYSA-N
XLogP2.25
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrazol-3-amine
CID 117306835
2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetonitrile
CID 51862538
5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-amine
CID 66199605
5-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-1,2-oxazol-3-amine
CID 117330704
2-methyl-2,3-dihydro-1-benzofuran-6-ol
CID 21485134
7-(3-amino-1,2-oxazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117359646
5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 64983047
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-yl]methyl]acetamide
CID 45497861
ethane;5-phenyl-1,2-oxazol-3-amine
CID 145311661
4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-amine
CID 117308055
5-(3-bromo-4-cyclopropyloxyphenyl)-1,2-oxazol-3-amine
CID 117475662
4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine
CID 6497060

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-amine (CID 117308010) is 5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-amine is CC1Cc2ccc(-c3cc(N)no3)cc2O1.
What is the InChIKey of 5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-amine?
The InChIKey is QQXFRVTZSXJMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-7-4-8-2-3-9(5-10(8)15-7)11-6-12(13)14-16-11/h2-3,5-7H,4H2,1H3,(H2,13,14).
What are the key properties of 5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-amine?
5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-amine has a molecular weight of 216.24 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117308010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).