1-(6-ethyl-1,2-benzoxazol-3-yl)-1,3-diazinane-2,4-dione

C13H13N3O3 — CID 177157871

IUPAC1-(6-ethyl-1,2-benzoxazol-3-yl)-1,3-diazinane-2,4-dione
SMILESCCc1ccc2c(N3CCC(=O)NC3=O)noc2c1
InChIInChI=1S/C13H13N3O3/c1-2-8-3-4-9-10(7-8)19-15-12(9)16-6-5-11(17)14-13(16)18/h3-4,7H,2,5-6H2,1H3,(H,14,17,18)
InChIKeyGRHMFMFGRUJGPB-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.84
Rot. Bonds2

About 1-(6-ethyl-1,2-benzoxazol-3-yl)-1,3-diazinane-2,4-dione

1-(6-ethyl-1,2-benzoxazol-3-yl)-1,3-diazinane-2,4-dione (PubChem CID 177157871) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-(6-ethyl-1,2-benzoxazol-3-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(6-ethyl-1,2-benzoxazol-3-yl)-1,3-diazinane-2,4-dione
PubChem CID177157871
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name1-(6-ethyl-1,2-benzoxazol-3-yl)-1,3-diazinane-2,4-dione
SMILESCCc1ccc2c(N3CCC(=O)NC3=O)noc2c1
InChIInChI=1S/C13H13N3O3/c1-2-8-3-4-9-10(7-8)19-15-12(9)16-6-5-11(17)14-13(16)18/h3-4,7H,2,5-6H2,1H3,(H,14,17,18)
InChIKeyGRHMFMFGRUJGPB-UHFFFAOYSA-N
XLogP1.84
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-1,2-benzoxazol-3-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(6-ethyl-1,2-benzoxazol-3-yl)-1,3-diazinane-2,4-dione (CID 177157871) is 1-(6-ethyl-1,2-benzoxazol-3-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(6-ethyl-1,2-benzoxazol-3-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(6-ethyl-1,2-benzoxazol-3-yl)-1,3-diazinane-2,4-dione is CCc1ccc2c(N3CCC(=O)NC3=O)noc2c1.
What is the InChIKey of 1-(6-ethyl-1,2-benzoxazol-3-yl)-1,3-diazinane-2,4-dione?
The InChIKey is GRHMFMFGRUJGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-2-8-3-4-9-10(7-8)19-15-12(9)16-6-5-11(17)14-13(16)18/h3-4,7H,2,5-6H2,1H3,(H,14,17,18).
What are the key properties of 1-(6-ethyl-1,2-benzoxazol-3-yl)-1,3-diazinane-2,4-dione?
1-(6-ethyl-1,2-benzoxazol-3-yl)-1,3-diazinane-2,4-dione has a molecular weight of 259.26 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-1,2-benzoxazol-3-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 177157871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).