3-ethyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1H-pyridin-2-one

C23H23N5O2 — CID 58070362

IUPAC3-ethyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1H-pyridin-2-one
SMILESCCc1cc(-c2cnc(C)c(-c3cc(-c4ccc(CNC)cc4)no3)n2)c[nH]c1=O
InChIInChI=1S/C23H23N5O2/c1-4-16-9-18(12-26-23(16)29)20-13-25-14(2)22(27-20)21-10-19(28-30-21)17-7-5-15(6-8-17)11-24-3/h5-10,12-13,24H,4,11H2,1-3H3,(H,26,29)
InChIKeyZWSOHIVFVGXYRT-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.74
Rot. Bonds6

About 3-ethyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1H-pyridin-2-one

3-ethyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1H-pyridin-2-one (PubChem CID 58070362) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-ethyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1H-pyridin-2-one
PubChem CID58070362
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name3-ethyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1H-pyridin-2-one
SMILESCCc1cc(-c2cnc(C)c(-c3cc(-c4ccc(CNC)cc4)no3)n2)c[nH]c1=O
InChIInChI=1S/C23H23N5O2/c1-4-16-9-18(12-26-23(16)29)20-13-25-14(2)22(27-20)21-10-19(28-30-21)17-7-5-15(6-8-17)11-24-3/h5-10,12-13,24H,4,11H2,1-3H3,(H,26,29)
InChIKeyZWSOHIVFVGXYRT-UHFFFAOYSA-N
XLogP3.74
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-3-pentan-3-yl-1H-pyridin-2-one
CID 58070289
N-methyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methanamine
CID 149229540
1-cyclopentyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]pyridin-2-one
CID 58070487
3-fluoro-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
CID 58070270
1-[(2-methylcyclopropyl)methyl]-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]pyridin-2-one
CID 58070490
5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 58070371
5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxan-2-ylmethyl)pyridin-2-one
CID 58070326
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
1-[3-fluoro-4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]-N-methylmethanamine;molecular hydrogen
CID 160515313
3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine
CID 138494642
3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;hydrate;hydrochloride
CID 71548356

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1H-pyridin-2-one?
The IUPAC name of 3-ethyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1H-pyridin-2-one (CID 58070362) is 3-ethyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-ethyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-ethyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1H-pyridin-2-one is CCc1cc(-c2cnc(C)c(-c3cc(-c4ccc(CNC)cc4)no3)n2)c[nH]c1=O.
What is the InChIKey of 3-ethyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1H-pyridin-2-one?
The InChIKey is ZWSOHIVFVGXYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-4-16-9-18(12-26-23(16)29)20-13-25-14(2)22(27-20)21-10-19(28-30-21)17-7-5-15(6-8-17)11-24-3/h5-10,12-13,24H,4,11H2,1-3H3,(H,26,29).
What are the key properties of 3-ethyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1H-pyridin-2-one?
3-ethyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1H-pyridin-2-one has a molecular weight of 401.47 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 58070362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).