3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-[2-(1-methylsulfonylethyl)-4-pyridinyl]pyrazin-2-amine

C23H24N6O3S — CID 66563585

IUPAC3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-[2-(1-methylsulfonylethyl)-4-pyridinyl]pyrazin-2-amine
SMILESCNCc1ccc(-c2cc(-c3nc(-c4ccnc(C(C)S(C)(=O)=O)c4)cnc3N)on2)cc1
InChIInChI=1S/C23H24N6O3S/c1-14(33(3,30)31)18-10-17(8-9-26-18)20-13-27-23(24)22(28-20)21-11-19(29-32-21)16-6-4-15(5-7-16)12-25-2/h4-11,13-14,25H,12H2,1-3H3,(H2,24,27)
InChIKeyJMONZLADCPYHIK-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.27
Rot. Bonds7

About 3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-[2-(1-methylsulfonylethyl)-4-pyridinyl]pyrazin-2-amine

3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-[2-(1-methylsulfonylethyl)-4-pyridinyl]pyrazin-2-amine (PubChem CID 66563585) has the molecular formula C23H24N6O3S and a molecular weight of 464.55 g/mol. Its IUPAC name is 3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-[2-(1-methylsulfonylethyl)-4-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-[2-(1-methylsulfonylethyl)-4-pyridinyl]pyrazin-2-amine
PubChem CID66563585
Molecular FormulaC23H24N6O3S
Molecular Weight464.55 g/mol
Exact Mass464.16
IUPAC Name3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-[2-(1-methylsulfonylethyl)-4-pyridinyl]pyrazin-2-amine
SMILESCNCc1ccc(-c2cc(-c3nc(-c4ccnc(C(C)S(C)(=O)=O)c4)cnc3N)on2)cc1
InChIInChI=1S/C23H24N6O3S/c1-14(33(3,30)31)18-10-17(8-9-26-18)20-13-27-23(24)22(28-20)21-11-19(29-32-21)16-6-4-15(5-7-16)12-25-2/h4-11,13-14,25H,12H2,1-3H3,(H2,24,27)
InChIKeyJMONZLADCPYHIK-UHFFFAOYSA-N
XLogP3.27
TPSA136.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-[2-(1-methylsulfonylethyl)-4-pyridinyl]pyrazin-2-amine?
The IUPAC name of 3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-[2-(1-methylsulfonylethyl)-4-pyridinyl]pyrazin-2-amine (CID 66563585) is 3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-[2-(1-methylsulfonylethyl)-4-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for 3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-[2-(1-methylsulfonylethyl)-4-pyridinyl]pyrazin-2-amine?
The canonical SMILES for 3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-[2-(1-methylsulfonylethyl)-4-pyridinyl]pyrazin-2-amine is CNCc1ccc(-c2cc(-c3nc(-c4ccnc(C(C)S(C)(=O)=O)c4)cnc3N)on2)cc1.
What is the InChIKey of 3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-[2-(1-methylsulfonylethyl)-4-pyridinyl]pyrazin-2-amine?
The InChIKey is JMONZLADCPYHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3S/c1-14(33(3,30)31)18-10-17(8-9-26-18)20-13-27-23(24)22(28-20)21-11-19(29-32-21)16-6-4-15(5-7-16)12-25-2/h4-11,13-14,25H,12H2,1-3H3,(H2,24,27).
What are the key properties of 3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-[2-(1-methylsulfonylethyl)-4-pyridinyl]pyrazin-2-amine?
3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-[2-(1-methylsulfonylethyl)-4-pyridinyl]pyrazin-2-amine has a molecular weight of 464.55 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-[2-(1-methylsulfonylethyl)-4-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 66563585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).