5-[2-(dimethylamino)ethylimino]-2-ethyl-6-methyl-1,3-benzoxazole-4,7-dione

C14H19N3O3 — CID 90909364

IUPAC5-[2-(dimethylamino)ethylimino]-2-ethyl-6-methyl-1,3-benzoxazole-4,7-dione
SMILESCCc1nc2c(o1)C(=O)C(C)/C(=N\CCN(C)C)C2=O
InChIInChI=1S/C14H19N3O3/c1-5-9-16-11-13(19)10(15-6-7-17(3)4)8(2)12(18)14(11)20-9/h8H,5-7H2,1-4H3/b15-10+
InChIKeyKGJKJYDUAHZMDB-XNTDXEJSSA-N
MW277.32 g/mol
LogP1.25
Rot. Bonds4

About 5-[2-(dimethylamino)ethylimino]-2-ethyl-6-methyl-1,3-benzoxazole-4,7-dione

5-[2-(dimethylamino)ethylimino]-2-ethyl-6-methyl-1,3-benzoxazole-4,7-dione (PubChem CID 90909364) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethylimino]-2-ethyl-6-methyl-1,3-benzoxazole-4,7-dione.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethylimino]-2-ethyl-6-methyl-1,3-benzoxazole-4,7-dione
PubChem CID90909364
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-[2-(dimethylamino)ethylimino]-2-ethyl-6-methyl-1,3-benzoxazole-4,7-dione
SMILESCCc1nc2c(o1)C(=O)C(C)/C(=N\CCN(C)C)C2=O
InChIInChI=1S/C14H19N3O3/c1-5-9-16-11-13(19)10(15-6-7-17(3)4)8(2)12(18)14(11)20-9/h8H,5-7H2,1-4H3/b15-10+
InChIKeyKGJKJYDUAHZMDB-XNTDXEJSSA-N
XLogP1.25
TPSA75.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethylimino]-2-ethyl-6-methyl-1,3-benzoxazole-4,7-dione?
The IUPAC name of 5-[2-(dimethylamino)ethylimino]-2-ethyl-6-methyl-1,3-benzoxazole-4,7-dione (CID 90909364) is 5-[2-(dimethylamino)ethylimino]-2-ethyl-6-methyl-1,3-benzoxazole-4,7-dione.
What is the SMILES notation for 5-[2-(dimethylamino)ethylimino]-2-ethyl-6-methyl-1,3-benzoxazole-4,7-dione?
The canonical SMILES for 5-[2-(dimethylamino)ethylimino]-2-ethyl-6-methyl-1,3-benzoxazole-4,7-dione is CCc1nc2c(o1)C(=O)C(C)/C(=N\CCN(C)C)C2=O.
What is the InChIKey of 5-[2-(dimethylamino)ethylimino]-2-ethyl-6-methyl-1,3-benzoxazole-4,7-dione?
The InChIKey is KGJKJYDUAHZMDB-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-5-9-16-11-13(19)10(15-6-7-17(3)4)8(2)12(18)14(11)20-9/h8H,5-7H2,1-4H3/b15-10+.
What are the key properties of 5-[2-(dimethylamino)ethylimino]-2-ethyl-6-methyl-1,3-benzoxazole-4,7-dione?
5-[2-(dimethylamino)ethylimino]-2-ethyl-6-methyl-1,3-benzoxazole-4,7-dione has a molecular weight of 277.32 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethylimino]-2-ethyl-6-methyl-1,3-benzoxazole-4,7-dione is sourced from PubChem (CID 90909364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).