3-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole

C12H11NO3 — CID 116869000

IUPAC3-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole
SMILESCc1cc(-c2cc3c(cc2C)OCO3)on1
InChIInChI=1S/C12H11NO3/c1-7-3-11-12(15-6-14-11)5-9(7)10-4-8(2)13-16-10/h3-5H,6H2,1-2H3
InChIKeyHRIAQPQMAJLAKD-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.69
Rot. Bonds1

About 3-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole

3-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole (PubChem CID 116869000) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 3-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole
PubChem CID116869000
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name3-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole
SMILESCc1cc(-c2cc3c(cc2C)OCO3)on1
InChIInChI=1S/C12H11NO3/c1-7-3-11-12(15-6-14-11)5-9(7)10-4-8(2)13-16-10/h3-5H,6H2,1-2H3
InChIKeyHRIAQPQMAJLAKD-UHFFFAOYSA-N
XLogP2.69
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,5-dimethylphenyl)-3-methyl-1,2-oxazole
CID 116868891
5-(6-ethyl-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117335995
5-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)-1,2-oxazole-3-carboxylic acid
CID 117485399
5-(6-fluoro-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117317439
5-(6-bromo-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117454781
6-(3-amino-1,2-oxazol-5-yl)-1,3-benzodioxol-5-ol
CID 136993765
[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
N-methyl-1-[2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methanamine
CID 116868246
5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-1,2-oxazole
CID 116868925
5-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)-1,3-oxazol-2-amine
CID 116831874
[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]methanamine
CID 116868184

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole?
The IUPAC name of 3-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole (CID 116869000) is 3-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole is Cc1cc(-c2cc3c(cc2C)OCO3)on1.
What is the InChIKey of 3-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole?
The InChIKey is HRIAQPQMAJLAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-7-3-11-12(15-6-14-11)5-9(7)10-4-8(2)13-16-10/h3-5H,6H2,1-2H3.
What are the key properties of 3-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole?
3-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole has a molecular weight of 217.22 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole is sourced from PubChem (CID 116869000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).