4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5H-1,3-oxazol-2-one

C13H14N2O3 — CID 114239576

IUPAC4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5H-1,3-oxazol-2-one
SMILESCC1(C)Cc2cccc(C3OC(=O)N=C3N)c2O1
InChIInChI=1S/C13H14N2O3/c1-13(2)6-7-4-3-5-8(9(7)18-13)10-11(14)15-12(16)17-10/h3-5,10H,6H2,1-2H3,(H2,14,15,16)
InChIKeyONALRFUKNZOKHT-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.95
Rot. Bonds1

About 4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5H-1,3-oxazol-2-one

4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5H-1,3-oxazol-2-one (PubChem CID 114239576) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5H-1,3-oxazol-2-one
PubChem CID114239576
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5H-1,3-oxazol-2-one
SMILESCC1(C)Cc2cccc(C3OC(=O)N=C3N)c2O1
InChIInChI=1S/C13H14N2O3/c1-13(2)6-7-4-3-5-8(9(7)18-13)10-11(14)15-12(16)17-10/h3-5,10H,6H2,1-2H3,(H2,14,15,16)
InChIKeyONALRFUKNZOKHT-UHFFFAOYSA-N
XLogP1.95
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5H-1,3-oxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propyl-4H-imidazol-2-one
CID 79960240
5-(2,2-dimethyl-3H-1-benzofuran-7-yl)oxolan-2-one
CID 103439665
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4-dimethyl-1,3-thiazolidine
CID 66228757
4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-2-one
CID 64507923
5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethyl-4,5-dihydroimidazol-2-amine
CID 79510725
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-5-amine
CID 64506787
[1-(aminomethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]methanol
CID 64510953
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylpyrrolidine
CID 64686696
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
[5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117405541
6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-methyl-4,5-dihydropyridazin-3-amine
CID 64691570
5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylimidazol-4-amine
CID 64506808

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5H-1,3-oxazol-2-one?
The IUPAC name of 4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5H-1,3-oxazol-2-one (CID 114239576) is 4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5H-1,3-oxazol-2-one.
What is the SMILES notation for 4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5H-1,3-oxazol-2-one?
The canonical SMILES for 4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5H-1,3-oxazol-2-one is CC1(C)Cc2cccc(C3OC(=O)N=C3N)c2O1.
What is the InChIKey of 4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5H-1,3-oxazol-2-one?
The InChIKey is ONALRFUKNZOKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-13(2)6-7-4-3-5-8(9(7)18-13)10-11(14)15-12(16)17-10/h3-5,10H,6H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5H-1,3-oxazol-2-one?
4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5H-1,3-oxazol-2-one has a molecular weight of 246.27 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5H-1,3-oxazol-2-one is sourced from PubChem (CID 114239576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).