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

C23H23N5O3S — CID 59472343

IUPAC3-[3-[4-(aminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc(-c4ccc(CN)cc4)no3)n2)cc1
InChIInChI=1S/C23H23N5O3S/c1-14(2)32(29,30)18-9-7-17(8-10-18)20-13-26-23(25)22(27-20)21-11-19(28-31-21)16-5-3-15(12-24)4-6-16/h3-11,13-14H,12,24H2,1-2H3,(H2,25,26)
InChIKeyBLHDWFGAYUVFER-UHFFFAOYSA-N
MW449.54 g/mol
LogP3.69
Rot. Bonds6

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

3-[3-[4-(aminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (PubChem CID 59472343) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is 3-[3-[4-(aminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-[3-[4-(aminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
PubChem CID59472343
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC Name3-[3-[4-(aminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc(-c4ccc(CN)cc4)no3)n2)cc1
InChIInChI=1S/C23H23N5O3S/c1-14(2)32(29,30)18-9-7-17(8-10-18)20-13-26-23(25)22(27-20)21-11-19(28-31-21)16-5-3-15(12-24)4-6-16/h3-11,13-14H,12,24H2,1-2H3,(H2,25,26)
InChIKeyBLHDWFGAYUVFER-UHFFFAOYSA-N
XLogP3.69
TPSA137.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Berzosertib
CID 59472121
3-[3-[2-Chloro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 59472203
5-(4-Isopropylsulfonylphenyl)-3-[3-[4-[(tetrahydropyran-4-ylamino)methyl]phenyl]isoxazol-5-yl]pyrazin-2-amine
CID 71537083
3-[3-[4-(Ethylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 90435584
3-(3-Phenyl-1,2-oxazol-5-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 155514391
3-[3-[4-[(1R)-1-aminoethyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 155560892
3-[3-[3-Chloro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 59472034
3-[5-amino-6-(3-methyl-1,2-oxazol-5-yl)pyrazin-2-yl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 118470793
5-(4-isopropylsulfonylphenyl)-3-[3-[4-[(3R)-morpholin-3-yl]phenyl]isoxazol-5-yl]pyrazin-2-amine
CID 71515494
3-[3-[4-[(1S)-1-aminoethyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 155532569
3-(5-Phenyl-1,2-oxazol-3-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 155546044
3-[4-(Methylaminomethyl)phenyl]-5-[6-(4-propan-2-ylsulfonylphenyl)-3-(sulfamoylamino)pyrazin-2-yl]-1,2-oxazole
CID 121382897

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(aminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The IUPAC name of 3-[3-[4-(aminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (CID 59472343) is 3-[3-[4-(aminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-[3-[4-(aminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-[3-[4-(aminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc(-c4ccc(CN)cc4)no3)n2)cc1.
What is the InChIKey of 3-[3-[4-(aminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The InChIKey is BLHDWFGAYUVFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-14(2)32(29,30)18-9-7-17(8-10-18)20-13-26-23(25)22(27-20)21-11-19(28-31-21)16-5-3-15(12-24)4-6-16/h3-11,13-14H,12,24H2,1-2H3,(H2,25,26).
What are the key properties of 3-[3-[4-(aminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
3-[3-[4-(aminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 449.54 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(aminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 59472343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).