5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole

C19H20N4O3 — CID 146133958

IUPAC5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole
SMILESCCOc1cnc(-c2noc(C3CC(C)(C)Oc4ccccc43)n2)cn1
InChIInChI=1S/C19H20N4O3/c1-4-24-16-11-20-14(10-21-16)17-22-18(26-23-17)13-9-19(2,3)25-15-8-6-5-7-12(13)15/h5-8,10-11,13H,4,9H2,1-3H3
InChIKeyXKGIRYDRKXNQAO-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.62
Rot. Bonds4

About 5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole

5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole (PubChem CID 146133958) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole
PubChem CID146133958
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole
SMILESCCOc1cnc(-c2noc(C3CC(C)(C)Oc4ccccc43)n2)cn1
InChIInChI=1S/C19H20N4O3/c1-4-24-16-11-20-14(10-21-16)17-22-18(26-23-17)13-9-19(2,3)25-15-8-6-5-7-12(13)15/h5-8,10-11,13H,4,9H2,1-3H3
InChIKeyXKGIRYDRKXNQAO-UHFFFAOYSA-N
XLogP3.62
TPSA83.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole (CID 146133958) is 5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole is CCOc1cnc(-c2noc(C3CC(C)(C)Oc4ccccc43)n2)cn1.
What is the InChIKey of 5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is XKGIRYDRKXNQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-4-24-16-11-20-14(10-21-16)17-22-18(26-23-17)13-9-19(2,3)25-15-8-6-5-7-12(13)15/h5-8,10-11,13H,4,9H2,1-3H3.
What are the key properties of 5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole?
5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 352.39 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 146133958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).