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

C11H10N2O3 — CID 82472014

IUPAC5-(1,3-benzodioxol-5-yl)-3-methyl-1,2-oxazol-4-amine
SMILESCc1noc(-c2ccc3c(c2)OCO3)c1N
InChIInChI=1S/C11H10N2O3/c1-6-10(12)11(16-13-6)7-2-3-8-9(4-7)15-5-14-8/h2-4H,5,12H2,1H3
InChIKeyUVMOIDFPEXJTHG-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.96
Rot. Bonds1

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

5-(1,3-benzodioxol-5-yl)-3-methyl-1,2-oxazol-4-amine (PubChem CID 82472014) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-3-methyl-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-3-methyl-1,2-oxazol-4-amine
PubChem CID82472014
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name5-(1,3-benzodioxol-5-yl)-3-methyl-1,2-oxazol-4-amine
SMILESCc1noc(-c2ccc3c(c2)OCO3)c1N
InChIInChI=1S/C11H10N2O3/c1-6-10(12)11(16-13-6)7-2-3-8-9(4-7)15-5-14-8/h2-4H,5,12H2,1H3
InChIKeyUVMOIDFPEXJTHG-UHFFFAOYSA-N
XLogP1.96
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1,3-benzodioxol-5-yl)-3-methyl-1,2-oxazol-4-amine 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

2-[5-(1,3-benzodioxol-5-yl)-3-methyl-1,2-oxazol-4-yl]acetic acid
CID 82302087
5-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46093942
5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-amine
CID 63692453
3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine
CID 43158870
4-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-amine
CID 79557105
4-(1,3-benzodioxol-5-yl)benzene-1,2-diamine
CID 22478061
5-(1,3-benzodioxol-5-yl)pyrimidin-2-amine
CID 122200432
2-(1,3-benzodioxol-5-yl)-5-methylpyridin-3-amine
CID 83918218
4-(1,3-benzodioxol-5-yl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine
CID 106690658
5-(1,3-benzodioxol-5-yl)-3-methyl-N-[(2S)-4-phenylbutan-2-yl]-1,2-oxazole-4-carboxamide
CID 92767319
5-(1,3-benzodioxol-5-yl)-3-methyl-N-(4-phenylbutyl)-1,2-oxazole-4-carboxamide
CID 46096819
5-(1,3-benzodioxol-5-yl)-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-1,2-oxazole-4-carboxamide
CID 92767320

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-3-methyl-1,2-oxazol-4-amine?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-3-methyl-1,2-oxazol-4-amine (CID 82472014) is 5-(1,3-benzodioxol-5-yl)-3-methyl-1,2-oxazol-4-amine.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-3-methyl-1,2-oxazol-4-amine?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-3-methyl-1,2-oxazol-4-amine is Cc1noc(-c2ccc3c(c2)OCO3)c1N.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-3-methyl-1,2-oxazol-4-amine?
The InChIKey is UVMOIDFPEXJTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-6-10(12)11(16-13-6)7-2-3-8-9(4-7)15-5-14-8/h2-4H,5,12H2,1H3.
What are the key properties of 5-(1,3-benzodioxol-5-yl)-3-methyl-1,2-oxazol-4-amine?
5-(1,3-benzodioxol-5-yl)-3-methyl-1,2-oxazol-4-amine has a molecular weight of 218.21 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-3-methyl-1,2-oxazol-4-amine is sourced from PubChem (CID 82472014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).