1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone

C16H20N2O3 — CID 97119156

IUPAC1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone
SMILESCc1cc(C)c2[nH]c(C)c(CC(=O)N3C[C@@H](O)CO3)c2c1
InChIInChI=1S/C16H20N2O3/c1-9-4-10(2)16-14(5-9)13(11(3)17-16)6-15(20)18-7-12(19)8-21-18/h4-5,12,17,19H,6-8H2,1-3H3/t12-/m1/s1
InChIKeyDEGTXAHHJKFTOX-GFCCVEGCSA-N
MW288.35 g/mol
LogP1.77
Rot. Bonds2

About 1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone

1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone (PubChem CID 97119156) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone
PubChem CID97119156
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone
SMILESCc1cc(C)c2[nH]c(C)c(CC(=O)N3C[C@@H](O)CO3)c2c1
InChIInChI=1S/C16H20N2O3/c1-9-4-10(2)16-14(5-9)13(11(3)17-16)6-15(20)18-7-12(19)8-21-18/h4-5,12,17,19H,6-8H2,1-3H3/t12-/m1/s1
InChIKeyDEGTXAHHJKFTOX-GFCCVEGCSA-N
XLogP1.77
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone
CID 97119155
1-[(3S)-3-methoxypiperidin-1-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone
CID 97118070
1-[(2S)-2-(hydroxymethyl)piperidin-1-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone
CID 97156000
N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 46977122
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 70759934
N-[(Z)-1-phenylpropan-2-ylideneamino]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 6249873
2-(4,6,8-trimethyl-2-oxo-1H-quinolin-3-yl)acetic acid
CID 84631831
4-[3-(2,5,7-trimethyl-1H-indol-3-yl)propyl]morpholine
CID 170871014
2,5,7-trimethyl-3-(2-piperazin-1-ylethyl)-1H-indole
CID 96679391
N-[1-(1,3-thiazol-5-yl)propan-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 70774748
[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-(3-methyl-4-nitrophenyl)methanone
CID 112736927
N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 97152669

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone?
The IUPAC name of 1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone (CID 97119156) is 1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone is Cc1cc(C)c2[nH]c(C)c(CC(=O)N3C[C@@H](O)CO3)c2c1.
What is the InChIKey of 1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone?
The InChIKey is DEGTXAHHJKFTOX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-9-4-10(2)16-14(5-9)13(11(3)17-16)6-15(20)18-7-12(19)8-21-18/h4-5,12,17,19H,6-8H2,1-3H3/t12-/m1/s1.
What are the key properties of 1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone?
1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone has a molecular weight of 288.35 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 97119156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).