3-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-oxadiazole

C20H19N5O4 — CID 166210264

IUPAC3-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3cnn4ccncc34)n2)ccc1OCC1CCCO1
InChIInChI=1S/C20H19N5O4/c1-26-18-9-13(4-5-17(18)28-12-14-3-2-8-27-14)19-23-20(29-24-19)15-10-22-25-7-6-21-11-16(15)25/h4-7,9-11,14H,2-3,8,12H2,1H3
InChIKeyOBOGGQMNGCLBCT-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.01
Rot. Bonds6

About 3-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-oxadiazole

3-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-oxadiazole (PubChem CID 166210264) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is 3-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-oxadiazole
PubChem CID166210264
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name3-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3cnn4ccncc34)n2)ccc1OCC1CCCO1
InChIInChI=1S/C20H19N5O4/c1-26-18-9-13(4-5-17(18)28-12-14-3-2-8-27-14)19-23-20(29-24-19)15-10-22-25-7-6-21-11-16(15)25/h4-7,9-11,14H,2-3,8,12H2,1H3
InChIKeyOBOGGQMNGCLBCT-UHFFFAOYSA-N
XLogP3.01
TPSA96.80 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-oxadiazole (CID 166210264) is 3-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-oxadiazole is COc1cc(-c2noc(-c3cnn4ccncc34)n2)ccc1OCC1CCCO1.
What is the InChIKey of 3-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-oxadiazole?
The InChIKey is OBOGGQMNGCLBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4/c1-26-18-9-13(4-5-17(18)28-12-14-3-2-8-27-14)19-23-20(29-24-19)15-10-22-25-7-6-21-11-16(15)25/h4-7,9-11,14H,2-3,8,12H2,1H3.
What are the key properties of 3-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-oxadiazole?
3-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-oxadiazole has a molecular weight of 393.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 166210264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).