4-[2-[3-methyl-4-(5-methyl-1,2-oxazol-3-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one

C22H22N4O4 — CID 118133460

IUPAC4-[2-[3-methyl-4-(5-methyl-1,2-oxazol-3-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCC(Oc1ccc(-c2cc(C)on2)c(C)c1)C(=O)N1CC(=O)Nc2cccnc21
InChIInChI=1S/C22H22N4O4/c1-4-19(22(28)26-12-20(27)24-17-6-5-9-23-21(17)26)29-15-7-8-16(13(2)10-15)18-11-14(3)30-25-18/h5-11,19H,4,12H2,1-3H3,(H,24,27)
InChIKeyPBCCCSWSDVYYKQ-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.50
Rot. Bonds5

About 4-[2-[3-methyl-4-(5-methyl-1,2-oxazol-3-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one

4-[2-[3-methyl-4-(5-methyl-1,2-oxazol-3-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 118133460) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 4-[2-[3-methyl-4-(5-methyl-1,2-oxazol-3-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name4-[2-[3-methyl-4-(5-methyl-1,2-oxazol-3-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID118133460
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name4-[2-[3-methyl-4-(5-methyl-1,2-oxazol-3-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCC(Oc1ccc(-c2cc(C)on2)c(C)c1)C(=O)N1CC(=O)Nc2cccnc21
InChIInChI=1S/C22H22N4O4/c1-4-19(22(28)26-12-20(27)24-17-6-5-9-23-21(17)26)29-15-7-8-16(13(2)10-15)18-11-14(3)30-25-18/h5-11,19H,4,12H2,1-3H3,(H,24,27)
InChIKeyPBCCCSWSDVYYKQ-UHFFFAOYSA-N
XLogP3.50
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-methyl-4-(5-methyl-1,2-oxazol-3-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 4-[2-[3-methyl-4-(5-methyl-1,2-oxazol-3-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 118133460) is 4-[2-[3-methyl-4-(5-methyl-1,2-oxazol-3-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 4-[2-[3-methyl-4-(5-methyl-1,2-oxazol-3-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 4-[2-[3-methyl-4-(5-methyl-1,2-oxazol-3-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one is CCC(Oc1ccc(-c2cc(C)on2)c(C)c1)C(=O)N1CC(=O)Nc2cccnc21.
What is the InChIKey of 4-[2-[3-methyl-4-(5-methyl-1,2-oxazol-3-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is PBCCCSWSDVYYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-4-19(22(28)26-12-20(27)24-17-6-5-9-23-21(17)26)29-15-7-8-16(13(2)10-15)18-11-14(3)30-25-18/h5-11,19H,4,12H2,1-3H3,(H,24,27).
What are the key properties of 4-[2-[3-methyl-4-(5-methyl-1,2-oxazol-3-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
4-[2-[3-methyl-4-(5-methyl-1,2-oxazol-3-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 406.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-methyl-4-(5-methyl-1,2-oxazol-3-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 118133460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).