5-[5-amino-6-[3-[4-(anilinomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one

C28H26N6O2 — CID 129057671

IUPAC5-[5-amino-6-[3-[4-(anilinomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(-c2cnc(N)c(-c3cc(-c4ccc(CNc5ccccc5)cc4)no3)n2)ccc1=O
InChIInChI=1S/C28H26N6O2/c1-18(2)34-17-21(12-13-26(34)35)24-16-31-28(29)27(32-24)25-14-23(33-36-25)20-10-8-19(9-11-20)15-30-22-6-4-3-5-7-22/h3-14,16-18,30H,15H2,1-2H3,(H2,29,31)
InChIKeyVWEWAMHWJVMCTE-UHFFFAOYSA-N
MW478.56 g/mol
LogP5.40
Rot. Bonds7

About 5-[5-amino-6-[3-[4-(anilinomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one

5-[5-amino-6-[3-[4-(anilinomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one (PubChem CID 129057671) has the molecular formula C28H26N6O2 and a molecular weight of 478.56 g/mol. Its IUPAC name is 5-[5-amino-6-[3-[4-(anilinomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-6-[3-[4-(anilinomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
PubChem CID129057671
Molecular FormulaC28H26N6O2
Molecular Weight478.56 g/mol
Exact Mass478.21
IUPAC Name5-[5-amino-6-[3-[4-(anilinomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(-c2cnc(N)c(-c3cc(-c4ccc(CNc5ccccc5)cc4)no3)n2)ccc1=O
InChIInChI=1S/C28H26N6O2/c1-18(2)34-17-21(12-13-26(34)35)24-16-31-28(29)27(32-24)25-14-23(33-36-25)20-10-8-19(9-11-20)15-30-22-6-4-3-5-7-22/h3-14,16-18,30H,15H2,1-2H3,(H2,29,31)
InChIKeyVWEWAMHWJVMCTE-UHFFFAOYSA-N
XLogP5.40
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.56
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-6-[3-[4-(anilinomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[5-amino-6-[3-[4-(anilinomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one (CID 129057671) is 5-[5-amino-6-[3-[4-(anilinomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[5-amino-6-[3-[4-(anilinomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[5-amino-6-[3-[4-(anilinomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one is CC(C)n1cc(-c2cnc(N)c(-c3cc(-c4ccc(CNc5ccccc5)cc4)no3)n2)ccc1=O.
What is the InChIKey of 5-[5-amino-6-[3-[4-(anilinomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
The InChIKey is VWEWAMHWJVMCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O2/c1-18(2)34-17-21(12-13-26(34)35)24-16-31-28(29)27(32-24)25-14-23(33-36-25)20-10-8-19(9-11-20)15-30-22-6-4-3-5-7-22/h3-14,16-18,30H,15H2,1-2H3,(H2,29,31).
What are the key properties of 5-[5-amino-6-[3-[4-(anilinomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
5-[5-amino-6-[3-[4-(anilinomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one has a molecular weight of 478.56 g/mol, XLogP of 5.40, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-6-[3-[4-(anilinomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 129057671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).