methyl 2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1H-indole-6-carboxylate

C20H18N2O4 — CID 102038664

IUPACmethyl 2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2cc(N3C(=O)OC[C@@H]3Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C20H18N2O4/c1-25-19(23)15-8-7-14-11-18(21-17(14)10-15)22-16(12-26-20(22)24)9-13-5-3-2-4-6-13/h2-8,10-11,16,21H,9,12H2,1H3/t16-/m0/s1
InChIKeyCZNHJAYKTALVBJ-INIZCTEOSA-N
MW350.37 g/mol
LogP3.52
Rot. Bonds4

About methyl 2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1H-indole-6-carboxylate

methyl 2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1H-indole-6-carboxylate (PubChem CID 102038664) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is methyl 2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1H-indole-6-carboxylate
PubChem CID102038664
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Namemethyl 2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2cc(N3C(=O)OC[C@@H]3Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C20H18N2O4/c1-25-19(23)15-8-7-14-11-18(21-17(14)10-15)22-16(12-26-20(22)24)9-13-5-3-2-4-6-13/h2-8,10-11,16,21H,9,12H2,1H3/t16-/m0/s1
InChIKeyCZNHJAYKTALVBJ-INIZCTEOSA-N
XLogP3.52
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1H-indole-6-carboxylate with MolForge

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Related Compounds

4-benzyl-3-(1H-indol-2-yl)-1,3-oxazolidin-2-one
CID 135053461
(4S)-4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one
CID 102038660
methyl (4S)-4-benzyl-1,6-dioxo-3,4,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-9-carboxylate
CID 7082520
(4R)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 14836208
(4-benzyl-2-oxo-1,3-oxazolidin-3-yl) propanoate
CID 175019030
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(2,4-dimethylbenzoyl) (4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate
CID 166698881
2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid
CID 82372064
methyl 2-(5-benzyl-1H-pyrazol-3-yl)-1H-indole-6-carboxylate
CID 137048066
methyl 2-oxo-1-(2-phenylethylamino)quinoline-6-carboxylate
CID 141344548
4-benzyl-3-(2-cyclopentyloxyacetyl)-1,3-oxazolidin-2-one
CID 175591418
4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1H-indole-6-carboxylate?
The IUPAC name of methyl 2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1H-indole-6-carboxylate (CID 102038664) is methyl 2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1H-indole-6-carboxylate?
The canonical SMILES for methyl 2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1H-indole-6-carboxylate is COC(=O)c1ccc2cc(N3C(=O)OC[C@@H]3Cc3ccccc3)[nH]c2c1.
What is the InChIKey of methyl 2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1H-indole-6-carboxylate?
The InChIKey is CZNHJAYKTALVBJ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-25-19(23)15-8-7-14-11-18(21-17(14)10-15)22-16(12-26-20(22)24)9-13-5-3-2-4-6-13/h2-8,10-11,16,21H,9,12H2,1H3/t16-/m0/s1.
What are the key properties of methyl 2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1H-indole-6-carboxylate?
methyl 2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1H-indole-6-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1H-indole-6-carboxylate is sourced from PubChem (CID 102038664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).