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

C23H21N5O3S — CID 158825320

IUPAC2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen
SMILESCc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2C#N)nc1-c1nnc(-c2ccccc2)o1.[H][H]
InChIInChI=1S/C23H19N5O3S.H2/c1-14(2)32(29,30)18-9-10-19(17(11-18)12-24)20-13-25-15(3)21(26-20)23-28-27-22(31-23)16-7-5-4-6-8-16;/h4-11,13-14H,1-3H3;1H
InChIKeyIWJQQUCIDRLXRA-UHFFFAOYSA-N
MW447.52 g/mol
LogP4.47
Rot. Bonds5

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

2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen (PubChem CID 158825320) has the molecular formula C23H21N5O3S and a molecular weight of 447.52 g/mol. Its IUPAC name is 2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen.

Molecular Properties

Compound Name2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen
PubChem CID158825320
Molecular FormulaC23H21N5O3S
Molecular Weight447.52 g/mol
Exact Mass447.14
IUPAC Name2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen
SMILESCc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2C#N)nc1-c1nnc(-c2ccccc2)o1.[H][H]
InChIInChI=1S/C23H19N5O3S.H2/c1-14(2)32(29,30)18-9-10-19(17(11-18)12-24)20-13-25-15(3)21(26-20)23-28-27-22(31-23)16-7-5-4-6-8-16;/h4-11,13-14H,1-3H3;1H
InChIKeyIWJQQUCIDRLXRA-UHFFFAOYSA-N
XLogP4.47
TPSA122.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen with MolForge

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

Launch Full Analysis

Related Compounds

2-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile
CID 59472199
4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyridine-3-carbonitrile;molecular hydrogen
CID 160707259
2-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
CID 158428005
[3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen
CID 161228678
(1S)-1-[3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine
CID 147454838
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 59472018
2-[3-methyl-6-(3-methylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 146735790
1-[3-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethanone;molecular hydrogen
CID 161223720
2-[6-(4-ethylsulfonylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 152905324
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
[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine;molecular hydrogen
CID 160543901
2-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine;molecular hydrogen
CID 159051269

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen?
The IUPAC name of 2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen (CID 158825320) is 2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen.
What is the SMILES notation for 2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen?
The canonical SMILES for 2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen is Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2C#N)nc1-c1nnc(-c2ccccc2)o1.[H][H].
What is the InChIKey of 2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen?
The InChIKey is IWJQQUCIDRLXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3S.H2/c1-14(2)32(29,30)18-9-10-19(17(11-18)12-24)20-13-25-15(3)21(26-20)23-28-27-22(31-23)16-7-5-4-6-8-16;/h4-11,13-14H,1-3H3;1H.
What are the key properties of 2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen?
2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen has a molecular weight of 447.52 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen is sourced from PubChem (CID 158825320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).