(2S,4S)-2-[(2S,3R)-3-ethyl-3-methyloxiran-2-yl]-N-methyl-N,4-diphenyl-1,3-oxazolidine-3-carboxamide

C22H26N2O3 — CID 101128972

IUPAC(2S,4S)-2-[(2S,3R)-3-ethyl-3-methyloxiran-2-yl]-N-methyl-N,4-diphenyl-1,3-oxazolidine-3-carboxamide
SMILESCC[C@@]1(C)O[C@@H]1[C@@H]1OC[C@H](c2ccccc2)N1C(=O)N(C)c1ccccc1
InChIInChI=1S/C22H26N2O3/c1-4-22(2)19(27-22)20-24(18(15-26-20)16-11-7-5-8-12-16)21(25)23(3)17-13-9-6-10-14-17/h5-14,18-20H,4,15H2,1-3H3/t18-,19-,20+,22-/m1/s1
InChIKeyXDAXPZALCPCLDT-XWSHUIEDSA-N
MW366.46 g/mol
LogP4.21
Rot. Bonds4

About (2S,4S)-2-[(2S,3R)-3-ethyl-3-methyloxiran-2-yl]-N-methyl-N,4-diphenyl-1,3-oxazolidine-3-carboxamide

(2S,4S)-2-[(2S,3R)-3-ethyl-3-methyloxiran-2-yl]-N-methyl-N,4-diphenyl-1,3-oxazolidine-3-carboxamide (PubChem CID 101128972) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (2S,4S)-2-[(2S,3R)-3-ethyl-3-methyloxiran-2-yl]-N-methyl-N,4-diphenyl-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-[(2S,3R)-3-ethyl-3-methyloxiran-2-yl]-N-methyl-N,4-diphenyl-1,3-oxazolidine-3-carboxamide
PubChem CID101128972
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(2S,4S)-2-[(2S,3R)-3-ethyl-3-methyloxiran-2-yl]-N-methyl-N,4-diphenyl-1,3-oxazolidine-3-carboxamide
SMILESCC[C@@]1(C)O[C@@H]1[C@@H]1OC[C@H](c2ccccc2)N1C(=O)N(C)c1ccccc1
InChIInChI=1S/C22H26N2O3/c1-4-22(2)19(27-22)20-24(18(15-26-20)16-11-7-5-8-12-16)21(25)23(3)17-13-9-6-10-14-17/h5-14,18-20H,4,15H2,1-3H3/t18-,19-,20+,22-/m1/s1
InChIKeyXDAXPZALCPCLDT-XWSHUIEDSA-N
XLogP4.21
TPSA45.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S,4S)-N-methyl-2-(2-methylprop-1-enyl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide
CID 15548412
ethyl 3-oxo-3-[(2R,4R)-4-phenyl-2-[(2R,3S)-3-phenyloxiran-2-yl]-1,3-oxazolidin-3-yl]propanoate
CID 11058025
ethyl (2R,4R)-2-[(1R)-1-hydroxy-2-methylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
CID 11077224
2-[(2S,5R)-2-amino-3-oxo-5-phenylmorpholin-4-yl]acetic acid
CID 163946363
2-diethoxyphosphoryl-1-[(4R)-2-hydroxy-4-phenyl-1,3-oxazolidin-3-yl]ethanone
CID 164604037
trans-(1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid
CID 70637110
(2R,3S)-N,N-dimethyl-2,3-diphenylaziridine-1-carboxamide
CID 10015778
N-methyl-2-[(3R)-3-methyl-3-phenylpiperidin-1-yl]-N-phenylacetamide
CID 97120184
methyl (3S,8S,8aR)-5-oxo-3-phenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine-8-carboxylate
CID 101250290
benzyl (2R,4R)-4-phenyl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate
CID 11330588
1-(2-benzyl-4-phenyl-1,3-oxazolidin-3-yl)-2-phenylsulfanylethanone
CID 20621349
3-ethyl-N-methyl-N-phenylpyrrolidine-3-carboxamide
CID 63140580

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-[(2S,3R)-3-ethyl-3-methyloxiran-2-yl]-N-methyl-N,4-diphenyl-1,3-oxazolidine-3-carboxamide?
The IUPAC name of (2S,4S)-2-[(2S,3R)-3-ethyl-3-methyloxiran-2-yl]-N-methyl-N,4-diphenyl-1,3-oxazolidine-3-carboxamide (CID 101128972) is (2S,4S)-2-[(2S,3R)-3-ethyl-3-methyloxiran-2-yl]-N-methyl-N,4-diphenyl-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for (2S,4S)-2-[(2S,3R)-3-ethyl-3-methyloxiran-2-yl]-N-methyl-N,4-diphenyl-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for (2S,4S)-2-[(2S,3R)-3-ethyl-3-methyloxiran-2-yl]-N-methyl-N,4-diphenyl-1,3-oxazolidine-3-carboxamide is CC[C@@]1(C)O[C@@H]1[C@@H]1OC[C@H](c2ccccc2)N1C(=O)N(C)c1ccccc1.
What is the InChIKey of (2S,4S)-2-[(2S,3R)-3-ethyl-3-methyloxiran-2-yl]-N-methyl-N,4-diphenyl-1,3-oxazolidine-3-carboxamide?
The InChIKey is XDAXPZALCPCLDT-XWSHUIEDSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-4-22(2)19(27-22)20-24(18(15-26-20)16-11-7-5-8-12-16)21(25)23(3)17-13-9-6-10-14-17/h5-14,18-20H,4,15H2,1-3H3/t18-,19-,20+,22-/m1/s1.
What are the key properties of (2S,4S)-2-[(2S,3R)-3-ethyl-3-methyloxiran-2-yl]-N-methyl-N,4-diphenyl-1,3-oxazolidine-3-carboxamide?
(2S,4S)-2-[(2S,3R)-3-ethyl-3-methyloxiran-2-yl]-N-methyl-N,4-diphenyl-1,3-oxazolidine-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-[(2S,3R)-3-ethyl-3-methyloxiran-2-yl]-N-methyl-N,4-diphenyl-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 101128972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).