4-[(1-benzylimidazol-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one

C18H16N4O2 — CID 72890647

IUPAC4-[(1-benzylimidazol-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2cccnc2N1Cc1nccn1Cc1ccccc1
InChIInChI=1S/C18H16N4O2/c23-17-13-24-15-7-4-8-20-18(15)22(17)12-16-19-9-10-21(16)11-14-5-2-1-3-6-14/h1-10H,11-13H2
InChIKeyROJXPYBXGDJGFR-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.25
Rot. Bonds4

About 4-[(1-benzylimidazol-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one

4-[(1-benzylimidazol-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 72890647) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-[(1-benzylimidazol-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name4-[(1-benzylimidazol-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID72890647
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name4-[(1-benzylimidazol-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2cccnc2N1Cc1nccn1Cc1ccccc1
InChIInChI=1S/C18H16N4O2/c23-17-13-24-15-7-4-8-20-18(15)22(17)12-16-19-9-10-21(16)11-14-5-2-1-3-6-14/h1-10H,11-13H2
InChIKeyROJXPYBXGDJGFR-UHFFFAOYSA-N
XLogP2.25
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzylimidazol-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 4-[(1-benzylimidazol-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one (CID 72890647) is 4-[(1-benzylimidazol-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 4-[(1-benzylimidazol-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 4-[(1-benzylimidazol-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2cccnc2N1Cc1nccn1Cc1ccccc1.
What is the InChIKey of 4-[(1-benzylimidazol-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is ROJXPYBXGDJGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-17-13-24-15-7-4-8-20-18(15)22(17)12-16-19-9-10-21(16)11-14-5-2-1-3-6-14/h1-10H,11-13H2.
What are the key properties of 4-[(1-benzylimidazol-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one?
4-[(1-benzylimidazol-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 320.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylimidazol-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 72890647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).