(4S,5S)-5-ethyl-4-hydroxy-4,5-dimethyl-3-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one

C18H24N2O3 — CID 51689194

IUPAC(4S,5S)-5-ethyl-4-hydroxy-4,5-dimethyl-3-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one
SMILESCC[C@]1(C)OC(=O)N(CCc2c[nH]c3ccc(C)cc23)[C@@]1(C)O
InChIInChI=1S/C18H24N2O3/c1-5-17(3)18(4,22)20(16(21)23-17)9-8-13-11-19-15-7-6-12(2)10-14(13)15/h6-7,10-11,19,22H,5,8-9H2,1-4H3/t17-,18-/m0/s1
InChIKeyIHZLTVTTYVVGLD-ROUUACIJSA-N
MW316.40 g/mol
LogP3.35
Rot. Bonds4

About (4S,5S)-5-ethyl-4-hydroxy-4,5-dimethyl-3-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one

(4S,5S)-5-ethyl-4-hydroxy-4,5-dimethyl-3-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one (PubChem CID 51689194) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (4S,5S)-5-ethyl-4-hydroxy-4,5-dimethyl-3-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-ethyl-4-hydroxy-4,5-dimethyl-3-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one
PubChem CID51689194
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(4S,5S)-5-ethyl-4-hydroxy-4,5-dimethyl-3-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one
SMILESCC[C@]1(C)OC(=O)N(CCc2c[nH]c3ccc(C)cc23)[C@@]1(C)O
InChIInChI=1S/C18H24N2O3/c1-5-17(3)18(4,22)20(16(21)23-17)9-8-13-11-19-15-7-6-12(2)10-14(13)15/h6-7,10-11,19,22H,5,8-9H2,1-4H3/t17-,18-/m0/s1
InChIKeyIHZLTVTTYVVGLD-ROUUACIJSA-N
XLogP3.35
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dimethyl-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-3H-pyrrol-2-one
CID 139258716
2-(5-methyl-1H-indol-3-yl)ethyl formate
CID 174764369
3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-methyl-1H-indole
CID 19848863
3-(3-methoxypropyl)-5-methyl-1H-indole
CID 66596207
N-(3-bromophenyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 50745085
2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17271899
(2S,3R)-3-ethyl-2,3,12-trimethyl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-5-one
CID 7358795
2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17339304
2-(5-methyl-1H-indol-3-yl)ethyl methanesulfonate
CID 86602334
N-(3-methylbutyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 25247390
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine
CID 23815452
ethyl 5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylate;hydrochloride
CID 90485840

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-ethyl-4-hydroxy-4,5-dimethyl-3-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-5-ethyl-4-hydroxy-4,5-dimethyl-3-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one (CID 51689194) is (4S,5S)-5-ethyl-4-hydroxy-4,5-dimethyl-3-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-5-ethyl-4-hydroxy-4,5-dimethyl-3-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-5-ethyl-4-hydroxy-4,5-dimethyl-3-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one is CC[C@]1(C)OC(=O)N(CCc2c[nH]c3ccc(C)cc23)[C@@]1(C)O.
What is the InChIKey of (4S,5S)-5-ethyl-4-hydroxy-4,5-dimethyl-3-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is IHZLTVTTYVVGLD-ROUUACIJSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-5-17(3)18(4,22)20(16(21)23-17)9-8-13-11-19-15-7-6-12(2)10-14(13)15/h6-7,10-11,19,22H,5,8-9H2,1-4H3/t17-,18-/m0/s1.
What are the key properties of (4S,5S)-5-ethyl-4-hydroxy-4,5-dimethyl-3-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one?
(4S,5S)-5-ethyl-4-hydroxy-4,5-dimethyl-3-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 316.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-ethyl-4-hydroxy-4,5-dimethyl-3-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 51689194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).