2-(1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide

C12H13N3O3 — CID 12858040

IUPAC2-(1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide
SMILESNC(=O)CN1CC2COc3ccccc3N2C1=O
InChIInChI=1S/C12H13N3O3/c13-11(16)6-14-5-8-7-18-10-4-2-1-3-9(10)15(8)12(14)17/h1-4,8H,5-7H2,(H2,13,16)
InChIKeyRNJWTQSLDJSSPM-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.17
Rot. Bonds2

About 2-(1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide

2-(1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide (PubChem CID 12858040) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-(1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide
PubChem CID12858040
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-(1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide
SMILESNC(=O)CN1CC2COc3ccccc3N2C1=O
InChIInChI=1S/C12H13N3O3/c13-11(16)6-14-5-8-7-18-10-4-2-1-3-9(10)15(8)12(14)17/h1-4,8H,5-7H2,(H2,13,16)
InChIKeyRNJWTQSLDJSSPM-UHFFFAOYSA-N
XLogP0.17
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methoxyphenyl)-1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide
CID 22752409
2-(8-chloro-1-sulfanylidene-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide
CID 22752378
2-methyl-2-(1-sulfanylidene-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)propanethioamide
CID 22752724
2-[4-(2-methoxyphenyl)-4-methyl-1-oxo-3,3a-dihydroimidazo[5,1-c][1,4]benzoxazin-2-yl]acetamide
CID 22752670
2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one
CID 18956119
2-(1-sulfanylidene-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)propanethioamide
CID 22752381
2-[2-(dimethylamino)ethyl]-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazine-1-thione
CID 54234572
2-(8-chloro-1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide
CID 22752282
2-[(6aS)-6a,7,8,9,10,11-hexahydro-6H-azepino[1,2-a]quinoxalin-5-yl]acetamide
CID 129409111
2-(2-amino-2-oxoethyl)-1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzothiazine-8-carboxylic acid
CID 22752634
2-(2-amino-2-sulfanylideneethyl)-1-sulfanylidene-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid
CID 22752536
3,3a,4,5-tetrahydro-[1,3]oxazolo[4,3-d][1,5]benzoxazepin-1-one
CID 141496364

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide?
The IUPAC name of 2-(1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide (CID 12858040) is 2-(1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide.
What is the SMILES notation for 2-(1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide?
The canonical SMILES for 2-(1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide is NC(=O)CN1CC2COc3ccccc3N2C1=O.
What is the InChIKey of 2-(1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide?
The InChIKey is RNJWTQSLDJSSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c13-11(16)6-14-5-8-7-18-10-4-2-1-3-9(10)15(8)12(14)17/h1-4,8H,5-7H2,(H2,13,16).
What are the key properties of 2-(1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide?
2-(1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide has a molecular weight of 247.25 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-2-yl)acetamide is sourced from PubChem (CID 12858040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).