tert-butyl (2S,4S)-2-[methoxy(methyl)carbamoyl]-4-phenyl-1,3-oxazolidine-3-carboxylate

C17H24N2O5 — CID 11151845

IUPACtert-butyl (2S,4S)-2-[methoxy(methyl)carbamoyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
SMILESCON(C)C(=O)[C@@H]1OC[C@H](c2ccccc2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H24N2O5/c1-17(2,3)24-16(21)19-13(12-9-7-6-8-10-12)11-23-15(19)14(20)18(4)22-5/h6-10,13,15H,11H2,1-5H3/t13-,15+/m1/s1
InChIKeyQVVPDYLYOIGLOH-HIFRSBDPSA-N
MW336.39 g/mol
LogP2.34
Rot. Bonds3

About tert-butyl (2S,4S)-2-[methoxy(methyl)carbamoyl]-4-phenyl-1,3-oxazolidine-3-carboxylate

tert-butyl (2S,4S)-2-[methoxy(methyl)carbamoyl]-4-phenyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11151845) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is tert-butyl (2S,4S)-2-[methoxy(methyl)carbamoyl]-4-phenyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4S)-2-[methoxy(methyl)carbamoyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
PubChem CID11151845
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Nametert-butyl (2S,4S)-2-[methoxy(methyl)carbamoyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
SMILESCON(C)C(=O)[C@@H]1OC[C@H](c2ccccc2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H24N2O5/c1-17(2,3)24-16(21)19-13(12-9-7-6-8-10-12)11-23-15(19)14(20)18(4)22-5/h6-10,13,15H,11H2,1-5H3/t13-,15+/m1/s1
InChIKeyQVVPDYLYOIGLOH-HIFRSBDPSA-N
XLogP2.34
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-Methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-YL]-N-(2-phenylethyl)acetamide
CID 72841935
N-Isopropyl-N-methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-YL]acetamide
CID 72901041
(5S)-N-tert-Butyloxycarbonyl-3,4,5,6-tetrahydro-5-phenyl-4(H)-1,4-oxazin-2-one
CID 10945746
methyl (2S)-2-[[(2S)-2-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]-methylamino]propanoate
CID 388575
(4S)-3-(2-azepan-1-yl-2-oxoethyl)-4-phenyl-1,3-oxazolidin-2-one
CID 72873452
N-Ethyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-YL]-N-(2,2,2-trifluoroethyl)acetamide
CID 72878771
4-[2-(2-Methyl-5-phenylmorpholin-4-yl)-2-oxoethyl]morpholin-3-one
CID 121535240
tert-butyl (4S,5R)-5-carbonofluoridoyl-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3-carboxylate
CID 57745705
Tert-butyl 5-(4-fluorophenyl)-6-(2-methoxy-2-oxoethyl)-7-oxo-1,9-dioxa-3,6-diazacycloundecane-3-carboxylate
CID 91115580
Tert-butyl 4-(3,4-difluorophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 142559029
Tert-butyl 5-(3-fluorophenyl)-6-(2-methoxy-2-oxoethyl)-7-oxo-1,9-dioxa-3,6-diazacycloundecane-3-carboxylate
CID 164152423
(4R)-3-[(2R)-3-methyl-1-nitrobutan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 10588639

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4S)-2-[methoxy(methyl)carbamoyl]-4-phenyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (2S,4S)-2-[methoxy(methyl)carbamoyl]-4-phenyl-1,3-oxazolidine-3-carboxylate (CID 11151845) is tert-butyl (2S,4S)-2-[methoxy(methyl)carbamoyl]-4-phenyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (2S,4S)-2-[methoxy(methyl)carbamoyl]-4-phenyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (2S,4S)-2-[methoxy(methyl)carbamoyl]-4-phenyl-1,3-oxazolidine-3-carboxylate is CON(C)C(=O)[C@@H]1OC[C@H](c2ccccc2)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,4S)-2-[methoxy(methyl)carbamoyl]-4-phenyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is QVVPDYLYOIGLOH-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-17(2,3)24-16(21)19-13(12-9-7-6-8-10-12)11-23-15(19)14(20)18(4)22-5/h6-10,13,15H,11H2,1-5H3/t13-,15+/m1/s1.
What are the key properties of tert-butyl (2S,4S)-2-[methoxy(methyl)carbamoyl]-4-phenyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (2S,4S)-2-[methoxy(methyl)carbamoyl]-4-phenyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4S)-2-[methoxy(methyl)carbamoyl]-4-phenyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11151845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).