ethyl (3R,4R)-3-(1H-indol-3-yl)-2-phenyl-1,2-oxazolidine-4-carboxylate

C20H20N2O3 — CID 132584043

IUPACethyl (3R,4R)-3-(1H-indol-3-yl)-2-phenyl-1,2-oxazolidine-4-carboxylate
SMILESCCOC(=O)[C@H]1CON(c2ccccc2)[C@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C20H20N2O3/c1-2-24-20(23)17-13-25-22(14-8-4-3-5-9-14)19(17)16-12-21-18-11-7-6-10-15(16)18/h3-12,17,19,21H,2,13H2,1H3/t17-,19-/m0/s1
InChIKeyWNWHZYNDYRHBGY-HKUYNNGSSA-N
MW336.39 g/mol
LogP3.84
Rot. Bonds4

About ethyl (3R,4R)-3-(1H-indol-3-yl)-2-phenyl-1,2-oxazolidine-4-carboxylate

ethyl (3R,4R)-3-(1H-indol-3-yl)-2-phenyl-1,2-oxazolidine-4-carboxylate (PubChem CID 132584043) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is ethyl (3R,4R)-3-(1H-indol-3-yl)-2-phenyl-1,2-oxazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl (3R,4R)-3-(1H-indol-3-yl)-2-phenyl-1,2-oxazolidine-4-carboxylate
PubChem CID132584043
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Nameethyl (3R,4R)-3-(1H-indol-3-yl)-2-phenyl-1,2-oxazolidine-4-carboxylate
SMILESCCOC(=O)[C@H]1CON(c2ccccc2)[C@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C20H20N2O3/c1-2-24-20(23)17-13-25-22(14-8-4-3-5-9-14)19(17)16-12-21-18-11-7-6-10-15(16)18/h3-12,17,19,21H,2,13H2,1H3/t17-,19-/m0/s1
InChIKeyWNWHZYNDYRHBGY-HKUYNNGSSA-N
XLogP3.84
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R,4R)-3-(1H-indol-3-yl)-2-phenyl-1,2-oxazolidine-4-carboxylate?
The IUPAC name of ethyl (3R,4R)-3-(1H-indol-3-yl)-2-phenyl-1,2-oxazolidine-4-carboxylate (CID 132584043) is ethyl (3R,4R)-3-(1H-indol-3-yl)-2-phenyl-1,2-oxazolidine-4-carboxylate.
What is the SMILES notation for ethyl (3R,4R)-3-(1H-indol-3-yl)-2-phenyl-1,2-oxazolidine-4-carboxylate?
The canonical SMILES for ethyl (3R,4R)-3-(1H-indol-3-yl)-2-phenyl-1,2-oxazolidine-4-carboxylate is CCOC(=O)[C@H]1CON(c2ccccc2)[C@H]1c1c[nH]c2ccccc12.
What is the InChIKey of ethyl (3R,4R)-3-(1H-indol-3-yl)-2-phenyl-1,2-oxazolidine-4-carboxylate?
The InChIKey is WNWHZYNDYRHBGY-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-2-24-20(23)17-13-25-22(14-8-4-3-5-9-14)19(17)16-12-21-18-11-7-6-10-15(16)18/h3-12,17,19,21H,2,13H2,1H3/t17-,19-/m0/s1.
What are the key properties of ethyl (3R,4R)-3-(1H-indol-3-yl)-2-phenyl-1,2-oxazolidine-4-carboxylate?
ethyl (3R,4R)-3-(1H-indol-3-yl)-2-phenyl-1,2-oxazolidine-4-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,4R)-3-(1H-indol-3-yl)-2-phenyl-1,2-oxazolidine-4-carboxylate is sourced from PubChem (CID 132584043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).