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

C24H25N5O2S — CID 138494642

IUPAC3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine
SMILESCNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)C(C)C)cc4)cnc3N)on2)cc1
InChIInChI=1S/C24H25N5O2S/c1-15(2)32(30)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-31-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27)
InChIKeyQIDORUHPJUJVCP-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.28
Rot. Bonds7

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

3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine (PubChem CID 138494642) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is 3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine
PubChem CID138494642
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC Name3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine
SMILESCNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)C(C)C)cc4)cnc3N)on2)cc1
InChIInChI=1S/C24H25N5O2S/c1-15(2)32(30)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-31-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27)
InChIKeyQIDORUHPJUJVCP-UHFFFAOYSA-N
XLogP4.28
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;hydrate;hydrochloride
CID 71548356
3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;dihydrochloride
CID 71547631
N-methyl-1-[3-methyl-4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methanamine
CID 70883056
3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-[2-(1-methylsulfonylethyl)-4-pyridinyl]pyrazin-2-amine
CID 66563585
5-[4-[(Z)-ethylidene(oxan-4-yl)-λ4-sulfanyl]phenyl]-3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-amine
CID 163607583
5-[5-amino-6-[3-[3-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
CID 54672911
3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-[4-(oxan-4-ylsulfonyl)phenyl]pyrazin-2-amine
CID 59471696
3-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-[4-(oxolan-3-ylsulfinyl)phenyl]pyrazin-2-amine
CID 59472047
5-[4-[dihydroxy(propan-2-yl)-λ4-sulfanyl]phenyl]-3-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-amine
CID 59471613
5-[4-(4-methoxybutan-2-ylsulfinyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 135137180
N-methyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methanamine
CID 149229540
5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]piperidin-2-one
CID 138403881

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine?
The IUPAC name of 3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine (CID 138494642) is 3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine is CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)C(C)C)cc4)cnc3N)on2)cc1.
What is the InChIKey of 3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine?
The InChIKey is QIDORUHPJUJVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-15(2)32(30)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-31-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27).
What are the key properties of 3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine?
3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine has a molecular weight of 447.56 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine is sourced from PubChem (CID 138494642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).