1-oxo-4-phenyl-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid

C17H14N2O4 — CID 22752348

IUPAC1-oxo-4-phenyl-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)N1C(=O)NCC1C(c1ccccc1)O2
InChIInChI=1S/C17H14N2O4/c20-16(21)11-6-7-14-12(8-11)19-13(9-18-17(19)22)15(23-14)10-4-2-1-3-5-10/h1-8,13,15H,9H2,(H,18,22)(H,20,21)
InChIKeyHDYSDJKJIKEGMB-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.42
Rot. Bonds2

About 1-oxo-4-phenyl-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid

1-oxo-4-phenyl-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid (PubChem CID 22752348) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 1-oxo-4-phenyl-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid.

Molecular Properties

Compound Name1-oxo-4-phenyl-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid
PubChem CID22752348
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name1-oxo-4-phenyl-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)N1C(=O)NCC1C(c1ccccc1)O2
InChIInChI=1S/C17H14N2O4/c20-16(21)11-6-7-14-12(8-11)19-13(9-18-17(19)22)15(23-14)10-4-2-1-3-5-10/h1-8,13,15H,9H2,(H,18,22)(H,20,21)
InChIKeyHDYSDJKJIKEGMB-UHFFFAOYSA-N
XLogP2.42
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-4-phenyl-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid?
The IUPAC name of 1-oxo-4-phenyl-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid (CID 22752348) is 1-oxo-4-phenyl-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid.
What is the SMILES notation for 1-oxo-4-phenyl-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid?
The canonical SMILES for 1-oxo-4-phenyl-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid is O=C(O)c1ccc2c(c1)N1C(=O)NCC1C(c1ccccc1)O2.
What is the InChIKey of 1-oxo-4-phenyl-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid?
The InChIKey is HDYSDJKJIKEGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c20-16(21)11-6-7-14-12(8-11)19-13(9-18-17(19)22)15(23-14)10-4-2-1-3-5-10/h1-8,13,15H,9H2,(H,18,22)(H,20,21).
What are the key properties of 1-oxo-4-phenyl-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid?
1-oxo-4-phenyl-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid has a molecular weight of 310.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-4-phenyl-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid is sourced from PubChem (CID 22752348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).