5-methyl-3-[[3-(5-methyl-2-oxopyrazin-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

C19H16N4O3 — CID 68765536

IUPAC5-methyl-3-[[3-(5-methyl-2-oxopyrazin-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCc1cn(-c2cccc(Cn3c(=O)oc4ccc(C)nc43)c2)c(=O)cn1
InChIInChI=1S/C19H16N4O3/c1-12-6-7-16-18(21-12)23(19(25)26-16)11-14-4-3-5-15(8-14)22-10-13(2)20-9-17(22)24/h3-10H,11H2,1-2H3
InChIKeyPLGVYVQSQBJYAH-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.20
Rot. Bonds3

About 5-methyl-3-[[3-(5-methyl-2-oxopyrazin-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

5-methyl-3-[[3-(5-methyl-2-oxopyrazin-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 68765536) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 5-methyl-3-[[3-(5-methyl-2-oxopyrazin-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-methyl-3-[[3-(5-methyl-2-oxopyrazin-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID68765536
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name5-methyl-3-[[3-(5-methyl-2-oxopyrazin-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCc1cn(-c2cccc(Cn3c(=O)oc4ccc(C)nc43)c2)c(=O)cn1
InChIInChI=1S/C19H16N4O3/c1-12-6-7-16-18(21-12)23(19(25)26-16)11-14-4-3-5-15(8-14)22-10-13(2)20-9-17(22)24/h3-10H,11H2,1-2H3
InChIKeyPLGVYVQSQBJYAH-UHFFFAOYSA-N
XLogP2.20
TPSA82.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[3-(5-methyl-2-oxopyrazin-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 5-methyl-3-[[3-(5-methyl-2-oxopyrazin-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 68765536) is 5-methyl-3-[[3-(5-methyl-2-oxopyrazin-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-methyl-3-[[3-(5-methyl-2-oxopyrazin-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-methyl-3-[[3-(5-methyl-2-oxopyrazin-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is Cc1cn(-c2cccc(Cn3c(=O)oc4ccc(C)nc43)c2)c(=O)cn1.
What is the InChIKey of 5-methyl-3-[[3-(5-methyl-2-oxopyrazin-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is PLGVYVQSQBJYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-12-6-7-16-18(21-12)23(19(25)26-16)11-14-4-3-5-15(8-14)22-10-13(2)20-9-17(22)24/h3-10H,11H2,1-2H3.
What are the key properties of 5-methyl-3-[[3-(5-methyl-2-oxopyrazin-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
5-methyl-3-[[3-(5-methyl-2-oxopyrazin-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 348.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[3-(5-methyl-2-oxopyrazin-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 68765536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).