3-(1,3-benzodioxol-5-yl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole

C15H12N4O3 — CID 16824633

IUPAC3-(1,3-benzodioxol-5-yl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
SMILESc1cc2c(cc1-c1noc(-c3cc(C4CC4)[nH]n3)n1)OCO2
InChIInChI=1S/C15H12N4O3/c1-2-8(1)10-6-11(18-17-10)15-16-14(19-22-15)9-3-4-12-13(5-9)21-7-20-12/h3-6,8H,1-2,7H2,(H,17,18)
InChIKeyFICAZBCTAHKJFI-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.73
Rot. Bonds3

About 3-(1,3-benzodioxol-5-yl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole

3-(1,3-benzodioxol-5-yl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 16824633) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID16824633
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name3-(1,3-benzodioxol-5-yl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
SMILESc1cc2c(cc1-c1noc(-c3cc(C4CC4)[nH]n3)n1)OCO2
InChIInChI=1S/C15H12N4O3/c1-2-8(1)10-6-11(18-17-10)15-16-14(19-22-15)9-3-4-12-13(5-9)21-7-20-12/h3-6,8H,1-2,7H2,(H,17,18)
InChIKeyFICAZBCTAHKJFI-UHFFFAOYSA-N
XLogP2.73
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole (CID 16824633) is 3-(1,3-benzodioxol-5-yl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole is c1cc2c(cc1-c1noc(-c3cc(C4CC4)[nH]n3)n1)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is FICAZBCTAHKJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-2-8(1)10-6-11(18-17-10)15-16-14(19-22-15)9-3-4-12-13(5-9)21-7-20-12/h3-6,8H,1-2,7H2,(H,17,18).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
3-(1,3-benzodioxol-5-yl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 296.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 16824633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).