3-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

C22H22N4O3S — CID 71521995

IUPAC3-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C3CC(c4ccccc4)=NO3)n2)cc1
InChIInChI=1S/C22H22N4O3S/c1-14(2)30(27,28)17-10-8-16(9-11-17)19-13-24-22(23)21(25-19)20-12-18(26-29-20)15-6-4-3-5-7-15/h3-11,13-14,20H,12H2,1-2H3,(H2,23,24)
InChIKeyGPBDAISQSIENJA-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.77
Rot. Bonds5

About 3-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

3-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (PubChem CID 71521995) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is 3-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
PubChem CID71521995
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC Name3-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C3CC(c4ccccc4)=NO3)n2)cc1
InChIInChI=1S/C22H22N4O3S/c1-14(2)30(27,28)17-10-8-16(9-11-17)19-13-24-22(23)21(25-19)20-12-18(26-29-20)15-6-4-3-5-7-15/h3-11,13-14,20H,12H2,1-2H3,(H2,23,24)
InChIKeyGPBDAISQSIENJA-UHFFFAOYSA-N
XLogP3.77
TPSA107.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine 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

3-[3-[4-(Methylaminomethyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 71557894
[2-Fluoro-4-[(oxetan-3-ylamino)methyl]benzenecarboximidoyl] 3-amino-6-(4-propan-2-ylsulfinylphenyl)pyrazine-2-carboximidate
CID 59471852
[4-[(2-Fluoroethylamino)methyl]benzenecarboximidoyl] 3-amino-6-(4-propan-2-ylsulfinylphenyl)pyrazine-2-carboximidate
CID 59472202
[2-Fluoro-4-(methylaminomethyl)benzenecarboximidoyl] 3-amino-6-[4-(4-methoxybutan-2-ylsulfinyl)phenyl]pyrazine-2-carboximidate
CID 59472210
[2-Fluoro-4-(methylaminomethyl)benzenecarboximidoyl] 3-amino-6-[4-(4-hydroxybutan-2-ylsulfinyl)phenyl]pyrazine-2-carboximidate
CID 89022611
[4-[(2-Methoxyethylamino)methyl]benzenecarboximidoyl] 3-amino-6-(4-propan-2-ylsulfanylphenyl)pyrazine-2-carboximidate
CID 59471684
[4-[(2-Hydroxyethylamino)methyl]benzenecarboximidoyl] 3-amino-6-(4-propan-2-ylsulfinylphenyl)pyrazine-2-carboximidate
CID 59471942
[4-(Methylaminomethyl)benzenecarboximidoyl] 3-amino-6-[4-[2-(dimethylamino)ethylsulfinyl]phenyl]pyrazine-2-carboximidate
CID 59471996
[4-(Methylaminomethyl)benzenecarboximidoyl] 3-amino-6-[4-(3-hydroxypropylsulfinyl)phenyl]pyrazine-2-carboximidate
CID 59472092
[4-(Methylaminomethyl)benzenecarboximidoyl] 3-amino-6-[4-[1-(dimethylamino)propan-2-ylsulfinyl]phenyl]pyrazine-2-carboximidate
CID 59472253
[4-(Methylaminomethyl)benzenecarboximidoyl] 3-amino-6-[4-(4-methoxybutan-2-ylsulfinyl)phenyl]pyrazine-2-carboximidate
CID 59472390
[4-(Methylaminomethyl)benzenecarboximidoyl] 3-amino-6-[4-(4-hydroxybutan-2-ylsulfinyl)phenyl]pyrazine-2-carboximidate
CID 89022604

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The IUPAC name of 3-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (CID 71521995) is 3-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C3CC(c4ccccc4)=NO3)n2)cc1.
What is the InChIKey of 3-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The InChIKey is GPBDAISQSIENJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-14(2)30(27,28)17-10-8-16(9-11-17)19-13-24-22(23)21(25-19)20-12-18(26-29-20)15-6-4-3-5-7-15/h3-11,13-14,20H,12H2,1-2H3,(H2,23,24).
What are the key properties of 3-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
3-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 422.51 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 71521995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).