methyl (3S,4R)-2-(3-methoxy-3-oxopropyl)-3-[(E)-2-phenylethenyl]-1,2-oxazolidine-4-carboxylate

C17H21NO5 — CID 100961714

IUPACmethyl (3S,4R)-2-(3-methoxy-3-oxopropyl)-3-[(E)-2-phenylethenyl]-1,2-oxazolidine-4-carboxylate
SMILESCOC(=O)CCN1OC[C@H](C(=O)OC)[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C17H21NO5/c1-21-16(19)10-11-18-15(14(12-23-18)17(20)22-2)9-8-13-6-4-3-5-7-13/h3-9,14-15H,10-12H2,1-2H3/b9-8+/t14-,15-/m0/s1
InChIKeyMTYTWFVXYKPQKN-JJGIJDNGSA-N
MW319.36 g/mol
LogP1.67
Rot. Bonds6

About methyl (3S,4R)-2-(3-methoxy-3-oxopropyl)-3-[(E)-2-phenylethenyl]-1,2-oxazolidine-4-carboxylate

methyl (3S,4R)-2-(3-methoxy-3-oxopropyl)-3-[(E)-2-phenylethenyl]-1,2-oxazolidine-4-carboxylate (PubChem CID 100961714) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is methyl (3S,4R)-2-(3-methoxy-3-oxopropyl)-3-[(E)-2-phenylethenyl]-1,2-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (3S,4R)-2-(3-methoxy-3-oxopropyl)-3-[(E)-2-phenylethenyl]-1,2-oxazolidine-4-carboxylate
PubChem CID100961714
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Namemethyl (3S,4R)-2-(3-methoxy-3-oxopropyl)-3-[(E)-2-phenylethenyl]-1,2-oxazolidine-4-carboxylate
SMILESCOC(=O)CCN1OC[C@H](C(=O)OC)[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C17H21NO5/c1-21-16(19)10-11-18-15(14(12-23-18)17(20)22-2)9-8-13-6-4-3-5-7-13/h3-9,14-15H,10-12H2,1-2H3/b9-8+/t14-,15-/m0/s1
InChIKeyMTYTWFVXYKPQKN-JJGIJDNGSA-N
XLogP1.67
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (3S,4R)-2-(3-methoxy-3-oxopropyl)-3-[(E)-2-phenylethenyl]-1,2-oxazolidine-4-carboxylate with MolForge

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Related Compounds

methyl (3R,4S)-2-benzyl-3-thiophen-2-yl-1,2-oxazolidine-4-carboxylate
CID 15441051
methyl 4-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]butanoate
CID 102264161
methyl 2,2-dimethyl-3-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate
CID 18624831
methyl (2S,3S)-1-(3-methoxy-3-oxopropyl)-3-phenylaziridine-2-carboxylate
CID 23266537
methyl 2-[(3S,4R)-3-(1,3-dioxoisoindol-2-yl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetate
CID 101189032
N-[2-[(3R,4R)-4-(benzenesulfonyl)-3-[(E)-2-phenylethenyl]-1,2-oxazolidin-2-yl]ethyl]-4-chlorobenzenesulfonamide
CID 101116906
dimethyl (1R,2S,3R,4S,5R)-5-[(E)-2-phenylethenyl]-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 11726828
methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070
methyl 2-[(3S,4R)-3-azido-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetate
CID 11000635
methyl (3S)-3-[(3R,4S)-2-oxo-4-(2-phenylethenyl)-3-(phenylmethoxycarbonylamino)azetidin-1-yl]pentanoate
CID 70416570
methyl 4-phenylbut-3-enoate;molecular nitrogen
CID 175524038
3-silylpropyl 3-[2-[(E)-2-phenylethenyl]-1,3-oxazolidin-3-yl]propanoate
CID 165021491

Frequently Asked Questions

What is the IUPAC name of methyl (3S,4R)-2-(3-methoxy-3-oxopropyl)-3-[(E)-2-phenylethenyl]-1,2-oxazolidine-4-carboxylate?
The IUPAC name of methyl (3S,4R)-2-(3-methoxy-3-oxopropyl)-3-[(E)-2-phenylethenyl]-1,2-oxazolidine-4-carboxylate (CID 100961714) is methyl (3S,4R)-2-(3-methoxy-3-oxopropyl)-3-[(E)-2-phenylethenyl]-1,2-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl (3S,4R)-2-(3-methoxy-3-oxopropyl)-3-[(E)-2-phenylethenyl]-1,2-oxazolidine-4-carboxylate?
The canonical SMILES for methyl (3S,4R)-2-(3-methoxy-3-oxopropyl)-3-[(E)-2-phenylethenyl]-1,2-oxazolidine-4-carboxylate is COC(=O)CCN1OC[C@H](C(=O)OC)[C@@H]1/C=C/c1ccccc1.
What is the InChIKey of methyl (3S,4R)-2-(3-methoxy-3-oxopropyl)-3-[(E)-2-phenylethenyl]-1,2-oxazolidine-4-carboxylate?
The InChIKey is MTYTWFVXYKPQKN-JJGIJDNGSA-N. The full InChI is InChI=1S/C17H21NO5/c1-21-16(19)10-11-18-15(14(12-23-18)17(20)22-2)9-8-13-6-4-3-5-7-13/h3-9,14-15H,10-12H2,1-2H3/b9-8+/t14-,15-/m0/s1.
What are the key properties of methyl (3S,4R)-2-(3-methoxy-3-oxopropyl)-3-[(E)-2-phenylethenyl]-1,2-oxazolidine-4-carboxylate?
methyl (3S,4R)-2-(3-methoxy-3-oxopropyl)-3-[(E)-2-phenylethenyl]-1,2-oxazolidine-4-carboxylate has a molecular weight of 319.36 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,4R)-2-(3-methoxy-3-oxopropyl)-3-[(E)-2-phenylethenyl]-1,2-oxazolidine-4-carboxylate is sourced from PubChem (CID 100961714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).