1-[3-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethanone;molecular hydrogen

C21H18N4O2 — CID 161223720

IUPAC1-[3-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethanone;molecular hydrogen
SMILESCC(=O)c1cccc(-c2cnc(C)c(-c3nnc(-c4ccccc4)o3)n2)c1.[H][H]
InChIInChI=1S/C21H16N4O2.H2/c1-13-19(21-25-24-20(27-21)15-7-4-3-5-8-15)23-18(12-22-13)17-10-6-9-16(11-17)14(2)26;/h3-12H,1-2H3;1H
InChIKeyUXVSJNXCNYFIPI-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.62
Rot. Bonds4

About 1-[3-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethanone;molecular hydrogen

1-[3-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethanone;molecular hydrogen (PubChem CID 161223720) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-[3-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethanone;molecular hydrogen.

Molecular Properties

Compound Name1-[3-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethanone;molecular hydrogen
PubChem CID161223720
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name1-[3-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethanone;molecular hydrogen
SMILESCC(=O)c1cccc(-c2cnc(C)c(-c3nnc(-c4ccccc4)o3)n2)c1.[H][H]
InChIInChI=1S/C21H16N4O2.H2/c1-13-19(21-25-24-20(27-21)15-7-4-3-5-8-15)23-18(12-22-13)17-10-6-9-16(11-17)14(2)26;/h3-12H,1-2H3;1H
InChIKeyUXVSJNXCNYFIPI-UHFFFAOYSA-N
XLogP4.62
TPSA81.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]acetamide;molecular hydrogen
CID 161451115
[3-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]methanol
CID 159186622
2-[3-methyl-6-(3-methylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 146735790
2-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
CID 158428005
2-(3-methyl-6-quinolin-6-ylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole
CID 121399760
3-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide
CID 59471656
N,N-dimethyl-4-[5-methyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide;molecular hydrogen
CID 158225404
4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyridine-3-carbonitrile;molecular hydrogen
CID 160707259
3-(difluoromethyl)-N,N-dimethyl-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;molecular hydrogen
CID 158481748
2-[6-(4-ethylsulfonylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 152905324
2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 90763951
1-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 161113880

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethanone;molecular hydrogen?
The IUPAC name of 1-[3-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethanone;molecular hydrogen (CID 161223720) is 1-[3-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethanone;molecular hydrogen.
What is the SMILES notation for 1-[3-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethanone;molecular hydrogen?
The canonical SMILES for 1-[3-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethanone;molecular hydrogen is CC(=O)c1cccc(-c2cnc(C)c(-c3nnc(-c4ccccc4)o3)n2)c1.[H][H].
What is the InChIKey of 1-[3-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethanone;molecular hydrogen?
The InChIKey is UXVSJNXCNYFIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2.H2/c1-13-19(21-25-24-20(27-21)15-7-4-3-5-8-15)23-18(12-22-13)17-10-6-9-16(11-17)14(2)26;/h3-12H,1-2H3;1H.
What are the key properties of 1-[3-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethanone;molecular hydrogen?
1-[3-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethanone;molecular hydrogen has a molecular weight of 358.40 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethanone;molecular hydrogen is sourced from PubChem (CID 161223720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).