7-(2,4-dimethoxyphenyl)-3,6-dimethylpyrazolo[5,1-b][1,3]oxazole

C15H16N2O3 — CID 67335442

IUPAC7-(2,4-dimethoxyphenyl)-3,6-dimethylpyrazolo[5,1-b][1,3]oxazole
SMILESCOc1ccc(-c2c(C)nn3c(C)coc23)c(OC)c1
InChIInChI=1S/C15H16N2O3/c1-9-8-20-15-14(10(2)16-17(9)15)12-6-5-11(18-3)7-13(12)19-4/h5-8H,1-4H3
InChIKeyNSOAWTJYQICHFV-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.23
Rot. Bonds3

About 7-(2,4-dimethoxyphenyl)-3,6-dimethylpyrazolo[5,1-b][1,3]oxazole

7-(2,4-dimethoxyphenyl)-3,6-dimethylpyrazolo[5,1-b][1,3]oxazole (PubChem CID 67335442) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 7-(2,4-dimethoxyphenyl)-3,6-dimethylpyrazolo[5,1-b][1,3]oxazole.

Molecular Properties

Compound Name7-(2,4-dimethoxyphenyl)-3,6-dimethylpyrazolo[5,1-b][1,3]oxazole
PubChem CID67335442
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name7-(2,4-dimethoxyphenyl)-3,6-dimethylpyrazolo[5,1-b][1,3]oxazole
SMILESCOc1ccc(-c2c(C)nn3c(C)coc23)c(OC)c1
InChIInChI=1S/C15H16N2O3/c1-9-8-20-15-14(10(2)16-17(9)15)12-6-5-11(18-3)7-13(12)19-4/h5-8H,1-4H3
InChIKeyNSOAWTJYQICHFV-UHFFFAOYSA-N
XLogP3.23
TPSA48.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dimethoxyphenyl)-3,6-dimethylpyrazolo[5,1-b][1,3]oxazole?
The IUPAC name of 7-(2,4-dimethoxyphenyl)-3,6-dimethylpyrazolo[5,1-b][1,3]oxazole (CID 67335442) is 7-(2,4-dimethoxyphenyl)-3,6-dimethylpyrazolo[5,1-b][1,3]oxazole.
What is the SMILES notation for 7-(2,4-dimethoxyphenyl)-3,6-dimethylpyrazolo[5,1-b][1,3]oxazole?
The canonical SMILES for 7-(2,4-dimethoxyphenyl)-3,6-dimethylpyrazolo[5,1-b][1,3]oxazole is COc1ccc(-c2c(C)nn3c(C)coc23)c(OC)c1.
What is the InChIKey of 7-(2,4-dimethoxyphenyl)-3,6-dimethylpyrazolo[5,1-b][1,3]oxazole?
The InChIKey is NSOAWTJYQICHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-8-20-15-14(10(2)16-17(9)15)12-6-5-11(18-3)7-13(12)19-4/h5-8H,1-4H3.
What are the key properties of 7-(2,4-dimethoxyphenyl)-3,6-dimethylpyrazolo[5,1-b][1,3]oxazole?
7-(2,4-dimethoxyphenyl)-3,6-dimethylpyrazolo[5,1-b][1,3]oxazole has a molecular weight of 272.30 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dimethoxyphenyl)-3,6-dimethylpyrazolo[5,1-b][1,3]oxazole is sourced from PubChem (CID 67335442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).