2-cyano-5-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzamide

C24H19N7O5 — CID 22102760

IUPAC2-cyano-5-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzamide
SMILESCN1CCN=C1c1cccc(Oc2nc3c(c(Oc4ccc(C#N)c(C(N)=O)c4)n2)NC(=O)CO3)c1
InChIInChI=1S/C24H19N7O5/c1-31-8-7-27-21(31)13-3-2-4-15(9-13)36-24-29-22-19(28-18(32)12-34-22)23(30-24)35-16-6-5-14(11-25)17(10-16)20(26)33/h2-6,9-10H,7-8,12H2,1H3,(H2,26,33)(H,28,32)
InChIKeyPNZFPUWODSFOQE-UHFFFAOYSA-N
MW485.46 g/mol
LogP2.05
Rot. Bonds6

About 2-cyano-5-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzamide

2-cyano-5-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzamide (PubChem CID 22102760) has the molecular formula C24H19N7O5 and a molecular weight of 485.46 g/mol. Its IUPAC name is 2-cyano-5-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzamide.

Molecular Properties

Compound Name2-cyano-5-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzamide
PubChem CID22102760
Molecular FormulaC24H19N7O5
Molecular Weight485.46 g/mol
Exact Mass485.14
IUPAC Name2-cyano-5-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzamide
SMILESCN1CCN=C1c1cccc(Oc2nc3c(c(Oc4ccc(C#N)c(C(N)=O)c4)n2)NC(=O)CO3)c1
InChIInChI=1S/C24H19N7O5/c1-31-8-7-27-21(31)13-3-2-4-15(9-13)36-24-29-22-19(28-18(32)12-34-22)23(30-24)35-16-6-5-14(11-25)17(10-16)20(26)33/h2-6,9-10H,7-8,12H2,1H3,(H2,26,33)(H,28,32)
InChIKeyPNZFPUWODSFOQE-UHFFFAOYSA-N
XLogP2.05
TPSA165.05 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.46
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-5-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzamide?
The IUPAC name of 2-cyano-5-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzamide (CID 22102760) is 2-cyano-5-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzamide.
What is the SMILES notation for 2-cyano-5-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzamide?
The canonical SMILES for 2-cyano-5-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzamide is CN1CCN=C1c1cccc(Oc2nc3c(c(Oc4ccc(C#N)c(C(N)=O)c4)n2)NC(=O)CO3)c1.
What is the InChIKey of 2-cyano-5-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzamide?
The InChIKey is PNZFPUWODSFOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7O5/c1-31-8-7-27-21(31)13-3-2-4-15(9-13)36-24-29-22-19(28-18(32)12-34-22)23(30-24)35-16-6-5-14(11-25)17(10-16)20(26)33/h2-6,9-10H,7-8,12H2,1H3,(H2,26,33)(H,28,32).
What are the key properties of 2-cyano-5-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzamide?
2-cyano-5-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzamide has a molecular weight of 485.46 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-5-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzamide is sourced from PubChem (CID 22102760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).