5-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-4H-1,4-benzoxazin-3-one

C19H18N2O4 — CID 99820097

IUPAC5-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-4H-1,4-benzoxazin-3-one
SMILESC[C@@H]1Cc2ccccc2N1C(=O)COc1cccc2c1NC(=O)CO2
InChIInChI=1S/C19H18N2O4/c1-12-9-13-5-2-3-6-14(13)21(12)18(23)11-25-16-8-4-7-15-19(16)20-17(22)10-24-15/h2-8,12H,9-11H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyNOWOFIZTMACXKX-GFCCVEGCSA-N
MW338.36 g/mol
LogP2.37
Rot. Bonds3

About 5-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-4H-1,4-benzoxazin-3-one

5-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-4H-1,4-benzoxazin-3-one (PubChem CID 99820097) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 5-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name5-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-4H-1,4-benzoxazin-3-one
PubChem CID99820097
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name5-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-4H-1,4-benzoxazin-3-one
SMILESC[C@@H]1Cc2ccccc2N1C(=O)COc1cccc2c1NC(=O)CO2
InChIInChI=1S/C19H18N2O4/c1-12-9-13-5-2-3-6-14(13)21(12)18(23)11-25-16-8-4-7-15-19(16)20-17(22)10-24-15/h2-8,12H,9-11H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyNOWOFIZTMACXKX-GFCCVEGCSA-N
XLogP2.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenoxy)ethanone
CID 19798381
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzonitrile
CID 4303205
N-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 7867316
2-[(3-oxo-4H-1,4-benzoxazin-5-yl)oxymethyl]prop-2-enoic acid
CID 166364767
2-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3878142
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone
CID 3257964
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 61027527
2-(4-chloro-3,5-dimethylphenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 903888
2-(4-chloro-3,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 5076814
3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzonitrile
CID 2444567
3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzonitrile
CID 2444569

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 5-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-4H-1,4-benzoxazin-3-one (CID 99820097) is 5-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 5-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 5-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-4H-1,4-benzoxazin-3-one is C[C@@H]1Cc2ccccc2N1C(=O)COc1cccc2c1NC(=O)CO2.
What is the InChIKey of 5-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-4H-1,4-benzoxazin-3-one?
The InChIKey is NOWOFIZTMACXKX-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12-9-13-5-2-3-6-14(13)21(12)18(23)11-25-16-8-4-7-15-19(16)20-17(22)10-24-15/h2-8,12H,9-11H2,1H3,(H,20,22)/t12-/m1/s1.
What are the key properties of 5-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-4H-1,4-benzoxazin-3-one?
5-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-4H-1,4-benzoxazin-3-one has a molecular weight of 338.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 99820097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).