methyl 2-[(4E)-5-ethyl-4-(2-methoxy-2-oxoethylidene)-3-(4-methoxyphenyl)-1,3-oxazolidin-2-yl]acetate

C18H23NO6 — CID 11772447

IUPACmethyl 2-[(4E)-5-ethyl-4-(2-methoxy-2-oxoethylidene)-3-(4-methoxyphenyl)-1,3-oxazolidin-2-yl]acetate
SMILESCCC1OC(CC(=O)OC)N(c2ccc(OC)cc2)/C1=C/C(=O)OC
InChIInChI=1S/C18H23NO6/c1-5-15-14(10-17(20)23-3)19(16(25-15)11-18(21)24-4)12-6-8-13(22-2)9-7-12/h6-10,15-16H,5,11H2,1-4H3/b14-10+
InChIKeyWOWBROXFKWSBOZ-GXDHUFHOSA-N
MW349.38 g/mol
LogP2.26
Rot. Bonds6

About methyl 2-[(4E)-5-ethyl-4-(2-methoxy-2-oxoethylidene)-3-(4-methoxyphenyl)-1,3-oxazolidin-2-yl]acetate

methyl 2-[(4E)-5-ethyl-4-(2-methoxy-2-oxoethylidene)-3-(4-methoxyphenyl)-1,3-oxazolidin-2-yl]acetate (PubChem CID 11772447) has the molecular formula C18H23NO6 and a molecular weight of 349.38 g/mol. Its IUPAC name is methyl 2-[(4E)-5-ethyl-4-(2-methoxy-2-oxoethylidene)-3-(4-methoxyphenyl)-1,3-oxazolidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(4E)-5-ethyl-4-(2-methoxy-2-oxoethylidene)-3-(4-methoxyphenyl)-1,3-oxazolidin-2-yl]acetate
PubChem CID11772447
Molecular FormulaC18H23NO6
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC Namemethyl 2-[(4E)-5-ethyl-4-(2-methoxy-2-oxoethylidene)-3-(4-methoxyphenyl)-1,3-oxazolidin-2-yl]acetate
SMILESCCC1OC(CC(=O)OC)N(c2ccc(OC)cc2)/C1=C/C(=O)OC
InChIInChI=1S/C18H23NO6/c1-5-15-14(10-17(20)23-3)19(16(25-15)11-18(21)24-4)12-6-8-13(22-2)9-7-12/h6-10,15-16H,5,11H2,1-4H3/b14-10+
InChIKeyWOWBROXFKWSBOZ-GXDHUFHOSA-N
XLogP2.26
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4E)-5-ethyl-4-(2-methoxy-2-oxoethylidene)-3-(4-methoxyphenyl)-1,3-oxazolidin-2-yl]acetate?
The IUPAC name of methyl 2-[(4E)-5-ethyl-4-(2-methoxy-2-oxoethylidene)-3-(4-methoxyphenyl)-1,3-oxazolidin-2-yl]acetate (CID 11772447) is methyl 2-[(4E)-5-ethyl-4-(2-methoxy-2-oxoethylidene)-3-(4-methoxyphenyl)-1,3-oxazolidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(4E)-5-ethyl-4-(2-methoxy-2-oxoethylidene)-3-(4-methoxyphenyl)-1,3-oxazolidin-2-yl]acetate?
The canonical SMILES for methyl 2-[(4E)-5-ethyl-4-(2-methoxy-2-oxoethylidene)-3-(4-methoxyphenyl)-1,3-oxazolidin-2-yl]acetate is CCC1OC(CC(=O)OC)N(c2ccc(OC)cc2)/C1=C/C(=O)OC.
What is the InChIKey of methyl 2-[(4E)-5-ethyl-4-(2-methoxy-2-oxoethylidene)-3-(4-methoxyphenyl)-1,3-oxazolidin-2-yl]acetate?
The InChIKey is WOWBROXFKWSBOZ-GXDHUFHOSA-N. The full InChI is InChI=1S/C18H23NO6/c1-5-15-14(10-17(20)23-3)19(16(25-15)11-18(21)24-4)12-6-8-13(22-2)9-7-12/h6-10,15-16H,5,11H2,1-4H3/b14-10+.
What are the key properties of methyl 2-[(4E)-5-ethyl-4-(2-methoxy-2-oxoethylidene)-3-(4-methoxyphenyl)-1,3-oxazolidin-2-yl]acetate?
methyl 2-[(4E)-5-ethyl-4-(2-methoxy-2-oxoethylidene)-3-(4-methoxyphenyl)-1,3-oxazolidin-2-yl]acetate has a molecular weight of 349.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4E)-5-ethyl-4-(2-methoxy-2-oxoethylidene)-3-(4-methoxyphenyl)-1,3-oxazolidin-2-yl]acetate is sourced from PubChem (CID 11772447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).