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

C12H10N2O2 — CID 117305301

IUPAC4-(2-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine
SMILESCc1cc2ccc(-c3cnoc3N)cc2o1
InChIInChI=1S/C12H10N2O2/c1-7-4-9-3-2-8(5-11(9)15-7)10-6-14-16-12(10)13/h2-6H,13H2,1H3
InChIKeyCSVJFDPEYJIOEN-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.98
Rot. Bonds1

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

4-(2-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine (PubChem CID 117305301) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-(2-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine
PubChem CID117305301
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name4-(2-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine
SMILESCc1cc2ccc(-c3cnoc3N)cc2o1
InChIInChI=1S/C12H10N2O2/c1-7-4-9-3-2-8(5-11(9)15-7)10-6-14-16-12(10)13/h2-6H,13H2,1H3
InChIKeyCSVJFDPEYJIOEN-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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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine (CID 117305301) is 4-(2-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine is Cc1cc2ccc(-c3cnoc3N)cc2o1.
What is the InChIKey of 4-(2-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine?
The InChIKey is CSVJFDPEYJIOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-7-4-9-3-2-8(5-11(9)15-7)10-6-14-16-12(10)13/h2-6H,13H2,1H3.
What are the key properties of 4-(2-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine?
4-(2-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-(2-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117305301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).