5-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)-1,3-oxazol-2-amine

C12H12N2O3 — CID 116831874

IUPAC5-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)-1,3-oxazol-2-amine
SMILESCc1cc2c(cc1-c1nc(N)oc1C)OCO2
InChIInChI=1S/C12H12N2O3/c1-6-3-9-10(16-5-15-9)4-8(6)11-7(2)17-12(13)14-11/h3-4H,5H2,1-2H3,(H2,13,14)
InChIKeyDPUNRTZFKSSHCR-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.27
Rot. Bonds1

About 5-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)-1,3-oxazol-2-amine

5-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)-1,3-oxazol-2-amine (PubChem CID 116831874) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)-1,3-oxazol-2-amine
PubChem CID116831874
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name5-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)-1,3-oxazol-2-amine
SMILESCc1cc2c(cc1-c1nc(N)oc1C)OCO2
InChIInChI=1S/C12H12N2O3/c1-6-3-9-10(16-5-15-9)4-8(6)11-7(2)17-12(13)14-11/h3-4H,5H2,1-2H3,(H2,13,14)
InChIKeyDPUNRTZFKSSHCR-UHFFFAOYSA-N
XLogP2.27
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-tert-butyl-2-methylphenyl)-5-methyl-1,3-oxazol-2-amine
CID 116831798
[2-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidin-4-yl]methanamine
CID 116857676
5-bromo-1-methyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-2-amine
CID 84605817
[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]methanamine
CID 116868184
4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-2,5-diamine
CID 82485977
[4-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidin-2-yl]methanamine
CID 116892370
2-chloro-4-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidine
CID 116897393
3-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole
CID 116869000
4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-oxazol-2-amine
CID 116831868
4-(3,4-dihydro-2H-chromen-6-yl)-5-methyl-1,3-oxazol-2-amine
CID 116831842
N-methyl-1-[2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methanamine
CID 116868246
N-methyl-3-(6-methyl-1,3-benzodioxol-5-yl)-1,2,4-triazin-5-amine
CID 116823971

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)-1,3-oxazol-2-amine?
The IUPAC name of 5-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)-1,3-oxazol-2-amine (CID 116831874) is 5-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)-1,3-oxazol-2-amine is Cc1cc2c(cc1-c1nc(N)oc1C)OCO2.
What is the InChIKey of 5-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)-1,3-oxazol-2-amine?
The InChIKey is DPUNRTZFKSSHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-6-3-9-10(16-5-15-9)4-8(6)11-7(2)17-12(13)14-11/h3-4H,5H2,1-2H3,(H2,13,14).
What are the key properties of 5-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)-1,3-oxazol-2-amine?
5-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)-1,3-oxazol-2-amine has a molecular weight of 232.24 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)-1,3-oxazol-2-amine is sourced from PubChem (CID 116831874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).