4-[2-(4-methylphenyl)ethyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one

C15H14N4O2 — CID 56793366

IUPAC4-[2-(4-methylphenyl)ethyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one
SMILESCc1ccc(CCn2c(-c3cnccn3)noc2=O)cc1
InChIInChI=1S/C15H14N4O2/c1-11-2-4-12(5-3-11)6-9-19-14(18-21-15(19)20)13-10-16-7-8-17-13/h2-5,7-8,10H,6,9H2,1H3
InChIKeyPZPHKOXBXQQKNM-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.84
Rot. Bonds4

About 4-[2-(4-methylphenyl)ethyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one

4-[2-(4-methylphenyl)ethyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one (PubChem CID 56793366) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)ethyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)ethyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one
PubChem CID56793366
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name4-[2-(4-methylphenyl)ethyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one
SMILESCc1ccc(CCn2c(-c3cnccn3)noc2=O)cc1
InChIInChI=1S/C15H14N4O2/c1-11-2-4-12(5-3-11)6-9-19-14(18-21-15(19)20)13-10-16-7-8-17-13/h2-5,7-8,10H,6,9H2,1H3
InChIKeyPZPHKOXBXQQKNM-UHFFFAOYSA-N
XLogP1.84
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)ethyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-[2-(4-methylphenyl)ethyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one (CID 56793366) is 4-[2-(4-methylphenyl)ethyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-[2-(4-methylphenyl)ethyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-[2-(4-methylphenyl)ethyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one is Cc1ccc(CCn2c(-c3cnccn3)noc2=O)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)ethyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one?
The InChIKey is PZPHKOXBXQQKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-11-2-4-12(5-3-11)6-9-19-14(18-21-15(19)20)13-10-16-7-8-17-13/h2-5,7-8,10H,6,9H2,1H3.
What are the key properties of 4-[2-(4-methylphenyl)ethyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one?
4-[2-(4-methylphenyl)ethyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one has a molecular weight of 282.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)ethyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 56793366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).