[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] (3R)-oxolane-3-carboxylate

C21H19NO4 — CID 95354546

IUPAC[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] (3R)-oxolane-3-carboxylate
SMILESO=C(COC(=O)[C@@H]1CCOC1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C21H19NO4/c23-18(13-26-21(24)15-10-11-25-12-15)19-16-8-4-5-9-17(16)22-20(19)14-6-2-1-3-7-14/h1-9,15,22H,10-13H2/t15-/m1/s1
InChIKeyVVEIMUNBJLSCER-OAHLLOKOSA-N
MW349.39 g/mol
LogP3.60
Rot. Bonds5

About [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] (3R)-oxolane-3-carboxylate

[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] (3R)-oxolane-3-carboxylate (PubChem CID 95354546) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] (3R)-oxolane-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] (3R)-oxolane-3-carboxylate
PubChem CID95354546
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] (3R)-oxolane-3-carboxylate
SMILESO=C(COC(=O)[C@@H]1CCOC1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C21H19NO4/c23-18(13-26-21(24)15-10-11-25-12-15)19-16-8-4-5-9-17(16)22-20(19)14-6-2-1-3-7-14/h1-9,15,22H,10-13H2/t15-/m1/s1
InChIKeyVVEIMUNBJLSCER-OAHLLOKOSA-N
XLogP3.60
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethanone, 2-(acetyloxy)-1-(1H-indol-3-yl)-
CID 214011
ethyl 2-(2-methyl-1H-indol-3-yl)-2-oxoacetate
CID 246927
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 4856075
[2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 6070797
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] cyclobutanecarboxylate
CID 7717289
2-(1H-indol-3-yl)-2-oxoethyl cyclopropanecarboxylate
CID 665108
4-Oxo Etodolac
CID 11266595
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 4035516
2-[4-(2-methylpropyl)phenyl]propanoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester
CID 2829153
(Z)-Ethyl 3-{4-Oxo-2-[(2-oxoindolin-3-ylidene)methyl]-4,5,6,7-tetrahydro-1H-indol-3-yl}propanoate
CID 46847848
methyl (2-methyl-1H-indol-3-yl)(oxo)acetate
CID 4962387
2-oxo-2-phenylethyl 1H-indol-3-ylacetate
CID 1074063

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] (3R)-oxolane-3-carboxylate?
The IUPAC name of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] (3R)-oxolane-3-carboxylate (CID 95354546) is [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] (3R)-oxolane-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] (3R)-oxolane-3-carboxylate?
The canonical SMILES for [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] (3R)-oxolane-3-carboxylate is O=C(COC(=O)[C@@H]1CCOC1)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] (3R)-oxolane-3-carboxylate?
The InChIKey is VVEIMUNBJLSCER-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H19NO4/c23-18(13-26-21(24)15-10-11-25-12-15)19-16-8-4-5-9-17(16)22-20(19)14-6-2-1-3-7-14/h1-9,15,22H,10-13H2/t15-/m1/s1.
What are the key properties of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] (3R)-oxolane-3-carboxylate?
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] (3R)-oxolane-3-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] (3R)-oxolane-3-carboxylate is sourced from PubChem (CID 95354546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).