5-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole

C19H21N5O — CID 166362381

IUPAC5-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole
SMILESCc1ccccc1Cc1noc(CN2CCN(C)c3ccncc32)n1
InChIInChI=1S/C19H21N5O/c1-14-5-3-4-6-15(14)11-18-21-19(25-22-18)13-24-10-9-23(2)16-7-8-20-12-17(16)24/h3-8,12H,9-11,13H2,1-2H3
InChIKeyHBVJBOLWVYQTRC-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.82
Rot. Bonds4

About 5-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole

5-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole (PubChem CID 166362381) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole
PubChem CID166362381
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name5-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole
SMILESCc1ccccc1Cc1noc(CN2CCN(C)c3ccncc32)n1
InChIInChI=1S/C19H21N5O/c1-14-5-3-4-6-15(14)11-18-21-19(25-22-18)13-24-10-9-23(2)16-7-8-20-12-17(16)24/h3-8,12H,9-11,13H2,1-2H3
InChIKeyHBVJBOLWVYQTRC-UHFFFAOYSA-N
XLogP2.82
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole (CID 166362381) is 5-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole is Cc1ccccc1Cc1noc(CN2CCN(C)c3ccncc32)n1.
What is the InChIKey of 5-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is HBVJBOLWVYQTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-5-3-4-6-15(14)11-18-21-19(25-22-18)13-24-10-9-23(2)16-7-8-20-12-17(16)24/h3-8,12H,9-11,13H2,1-2H3.
What are the key properties of 5-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole?
5-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 335.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 166362381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).