2-ethyl-5-morpholin-4-yl-1,3-benzoxazole-4,7-dione

C13H14N2O4 — CID 10149276

IUPAC2-ethyl-5-morpholin-4-yl-1,3-benzoxazole-4,7-dione
SMILESCCc1nc2c(o1)C(=O)C=C(N1CCOCC1)C2=O
InChIInChI=1S/C13H14N2O4/c1-2-10-14-11-12(17)8(7-9(16)13(11)19-10)15-3-5-18-6-4-15/h7H,2-6H2,1H3
InChIKeyADFKQOWVYWDFAJ-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.83
Rot. Bonds2

About 2-ethyl-5-morpholin-4-yl-1,3-benzoxazole-4,7-dione

2-ethyl-5-morpholin-4-yl-1,3-benzoxazole-4,7-dione (PubChem CID 10149276) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-ethyl-5-morpholin-4-yl-1,3-benzoxazole-4,7-dione.

Molecular Properties

Compound Name2-ethyl-5-morpholin-4-yl-1,3-benzoxazole-4,7-dione
PubChem CID10149276
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-ethyl-5-morpholin-4-yl-1,3-benzoxazole-4,7-dione
SMILESCCc1nc2c(o1)C(=O)C=C(N1CCOCC1)C2=O
InChIInChI=1S/C13H14N2O4/c1-2-10-14-11-12(17)8(7-9(16)13(11)19-10)15-3-5-18-6-4-15/h7H,2-6H2,1H3
InChIKeyADFKQOWVYWDFAJ-UHFFFAOYSA-N
XLogP0.83
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-morpholin-4-yl-1,3-benzoxazole-4,7-dione?
The IUPAC name of 2-ethyl-5-morpholin-4-yl-1,3-benzoxazole-4,7-dione (CID 10149276) is 2-ethyl-5-morpholin-4-yl-1,3-benzoxazole-4,7-dione.
What is the SMILES notation for 2-ethyl-5-morpholin-4-yl-1,3-benzoxazole-4,7-dione?
The canonical SMILES for 2-ethyl-5-morpholin-4-yl-1,3-benzoxazole-4,7-dione is CCc1nc2c(o1)C(=O)C=C(N1CCOCC1)C2=O.
What is the InChIKey of 2-ethyl-5-morpholin-4-yl-1,3-benzoxazole-4,7-dione?
The InChIKey is ADFKQOWVYWDFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-2-10-14-11-12(17)8(7-9(16)13(11)19-10)15-3-5-18-6-4-15/h7H,2-6H2,1H3.
What are the key properties of 2-ethyl-5-morpholin-4-yl-1,3-benzoxazole-4,7-dione?
2-ethyl-5-morpholin-4-yl-1,3-benzoxazole-4,7-dione has a molecular weight of 262.26 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-morpholin-4-yl-1,3-benzoxazole-4,7-dione is sourced from PubChem (CID 10149276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).