5-(7-methoxy-1,3-benzodioxol-5-yl)-4-pyrimidin-5-yl-1,2-oxazole

C15H11N3O4 — CID 58178077

IUPAC5-(7-methoxy-1,3-benzodioxol-5-yl)-4-pyrimidin-5-yl-1,2-oxazole
SMILESCOc1cc(-c2oncc2-c2cncnc2)cc2c1OCO2
InChIInChI=1S/C15H11N3O4/c1-19-12-2-9(3-13-15(12)21-8-20-13)14-11(6-18-22-14)10-4-16-7-17-5-10/h2-7H,8H2,1H3
InChIKeyAYOTZNVOLKTQHE-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.54
Rot. Bonds3

About 5-(7-methoxy-1,3-benzodioxol-5-yl)-4-pyrimidin-5-yl-1,2-oxazole

5-(7-methoxy-1,3-benzodioxol-5-yl)-4-pyrimidin-5-yl-1,2-oxazole (PubChem CID 58178077) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is 5-(7-methoxy-1,3-benzodioxol-5-yl)-4-pyrimidin-5-yl-1,2-oxazole.

Molecular Properties

Compound Name5-(7-methoxy-1,3-benzodioxol-5-yl)-4-pyrimidin-5-yl-1,2-oxazole
PubChem CID58178077
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC Name5-(7-methoxy-1,3-benzodioxol-5-yl)-4-pyrimidin-5-yl-1,2-oxazole
SMILESCOc1cc(-c2oncc2-c2cncnc2)cc2c1OCO2
InChIInChI=1S/C15H11N3O4/c1-19-12-2-9(3-13-15(12)21-8-20-13)14-11(6-18-22-14)10-4-16-7-17-5-10/h2-7H,8H2,1H3
InChIKeyAYOTZNVOLKTQHE-UHFFFAOYSA-N
XLogP2.54
TPSA79.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(7-methoxy-1,3-benzodioxol-5-yl)-4-pyrimidin-5-yl-1,2-oxazole?
The IUPAC name of 5-(7-methoxy-1,3-benzodioxol-5-yl)-4-pyrimidin-5-yl-1,2-oxazole (CID 58178077) is 5-(7-methoxy-1,3-benzodioxol-5-yl)-4-pyrimidin-5-yl-1,2-oxazole.
What is the SMILES notation for 5-(7-methoxy-1,3-benzodioxol-5-yl)-4-pyrimidin-5-yl-1,2-oxazole?
The canonical SMILES for 5-(7-methoxy-1,3-benzodioxol-5-yl)-4-pyrimidin-5-yl-1,2-oxazole is COc1cc(-c2oncc2-c2cncnc2)cc2c1OCO2.
What is the InChIKey of 5-(7-methoxy-1,3-benzodioxol-5-yl)-4-pyrimidin-5-yl-1,2-oxazole?
The InChIKey is AYOTZNVOLKTQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4/c1-19-12-2-9(3-13-15(12)21-8-20-13)14-11(6-18-22-14)10-4-16-7-17-5-10/h2-7H,8H2,1H3.
What are the key properties of 5-(7-methoxy-1,3-benzodioxol-5-yl)-4-pyrimidin-5-yl-1,2-oxazole?
5-(7-methoxy-1,3-benzodioxol-5-yl)-4-pyrimidin-5-yl-1,2-oxazole has a molecular weight of 297.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methoxy-1,3-benzodioxol-5-yl)-4-pyrimidin-5-yl-1,2-oxazole is sourced from PubChem (CID 58178077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).