4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine

C13H14N2O3 — CID 117367649

IUPAC4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
SMILESCc1cc2c(c(-c3cnoc3N)c1C)OCCO2
InChIInChI=1S/C13H14N2O3/c1-7-5-10-12(17-4-3-16-10)11(8(7)2)9-6-15-18-13(9)14/h5-6H,3-4,14H2,1-2H3
InChIKeyAYUZMNBRRCSAFY-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.31
Rot. Bonds1

About 4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine

4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine (PubChem CID 117367649) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
PubChem CID117367649
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
SMILESCc1cc2c(c(-c3cnoc3N)c1C)OCCO2
InChIInChI=1S/C13H14N2O3/c1-7-5-10-12(17-4-3-16-10)11(8(7)2)9-6-15-18-13(9)14/h5-6H,3-4,14H2,1-2H3
InChIKeyAYUZMNBRRCSAFY-UHFFFAOYSA-N
XLogP2.31
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine with MolForge

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Related Compounds

4-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-5-amine
CID 117344229
4-(3-chloro-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
CID 117353932
3-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrazol-5-amine
CID 117402139
4-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
CID 117458759
4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117310663
4-(2,3,4,5-tetramethylphenyl)-1,2-oxazol-5-amine
CID 117308300
4-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)-1,2-oxazol-5-amine
CID 117433533
4-[3-(dimethylamino)-4,5-dimethylphenyl]-1,2-oxazol-5-amine
CID 115112238
4-(6-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine
CID 117349722
2-(5-amino-1,2-oxazol-4-yl)-3,5-dimethylphenol
CID 117292479
4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine
CID 117378364
3-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117420567

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine (CID 117367649) is 4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine is Cc1cc2c(c(-c3cnoc3N)c1C)OCCO2.
What is the InChIKey of 4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine?
The InChIKey is AYUZMNBRRCSAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-7-5-10-12(17-4-3-16-10)11(8(7)2)9-6-15-18-13(9)14/h5-6H,3-4,14H2,1-2H3.
What are the key properties of 4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine?
4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine has a molecular weight of 246.27 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117367649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).