ethyl 3-(naphthalene-2-carbonylamino)-3-[4-[[2-oxo-3-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoate

C40H36N4O7 — CID 70050855

IUPACethyl 3-(naphthalene-2-carbonylamino)-3-[4-[[2-oxo-3-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoate
SMILESCCOC(=O)CC(NC(=O)c1ccc2ccccc2c1)c1ccc(OCC2CN(c3ccc(C4=NC(c5ccccc5)ON4)cc3)C(=O)O2)cc1
InChIInChI=1S/C40H36N4O7/c1-2-48-36(45)23-35(41-38(46)31-13-12-26-8-6-7-11-30(26)22-31)27-16-20-33(21-17-27)49-25-34-24-44(40(47)50-34)32-18-14-28(15-19-32)37-42-39(51-43-37)29-9-4-3-5-10-29/h3-22,34-35,39H,2,23-25H2,1H3,(H,41,46)(H,42,43)
InChIKeyBHQDTDJSINVOAX-UHFFFAOYSA-N
MW684.75 g/mol
LogP6.65
Rot. Bonds12

About ethyl 3-(naphthalene-2-carbonylamino)-3-[4-[[2-oxo-3-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoate

ethyl 3-(naphthalene-2-carbonylamino)-3-[4-[[2-oxo-3-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoate (PubChem CID 70050855) has the molecular formula C40H36N4O7 and a molecular weight of 684.75 g/mol. Its IUPAC name is ethyl 3-(naphthalene-2-carbonylamino)-3-[4-[[2-oxo-3-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-(naphthalene-2-carbonylamino)-3-[4-[[2-oxo-3-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoate
PubChem CID70050855
Molecular FormulaC40H36N4O7
Molecular Weight684.75 g/mol
Exact Mass684.26
IUPAC Nameethyl 3-(naphthalene-2-carbonylamino)-3-[4-[[2-oxo-3-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoate
SMILESCCOC(=O)CC(NC(=O)c1ccc2ccccc2c1)c1ccc(OCC2CN(c3ccc(C4=NC(c5ccccc5)ON4)cc3)C(=O)O2)cc1
InChIInChI=1S/C40H36N4O7/c1-2-48-36(45)23-35(41-38(46)31-13-12-26-8-6-7-11-30(26)22-31)27-16-20-33(21-17-27)49-25-34-24-44(40(47)50-34)32-18-14-28(15-19-32)37-42-39(51-43-37)29-9-4-3-5-10-29/h3-22,34-35,39H,2,23-25H2,1H3,(H,41,46)(H,42,43)
InChIKeyBHQDTDJSINVOAX-UHFFFAOYSA-N
XLogP6.65
TPSA127.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.75
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethyl 3-(naphthalene-2-carbonylamino)-3-[4-[[2-oxo-3-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(naphthalene-2-carbonylamino)-3-[4-[[2-oxo-3-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoate?
The IUPAC name of ethyl 3-(naphthalene-2-carbonylamino)-3-[4-[[2-oxo-3-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoate (CID 70050855) is ethyl 3-(naphthalene-2-carbonylamino)-3-[4-[[2-oxo-3-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoate.
What is the SMILES notation for ethyl 3-(naphthalene-2-carbonylamino)-3-[4-[[2-oxo-3-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoate?
The canonical SMILES for ethyl 3-(naphthalene-2-carbonylamino)-3-[4-[[2-oxo-3-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoate is CCOC(=O)CC(NC(=O)c1ccc2ccccc2c1)c1ccc(OCC2CN(c3ccc(C4=NC(c5ccccc5)ON4)cc3)C(=O)O2)cc1.
What is the InChIKey of ethyl 3-(naphthalene-2-carbonylamino)-3-[4-[[2-oxo-3-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoate?
The InChIKey is BHQDTDJSINVOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N4O7/c1-2-48-36(45)23-35(41-38(46)31-13-12-26-8-6-7-11-30(26)22-31)27-16-20-33(21-17-27)49-25-34-24-44(40(47)50-34)32-18-14-28(15-19-32)37-42-39(51-43-37)29-9-4-3-5-10-29/h3-22,34-35,39H,2,23-25H2,1H3,(H,41,46)(H,42,43).
What are the key properties of ethyl 3-(naphthalene-2-carbonylamino)-3-[4-[[2-oxo-3-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoate?
ethyl 3-(naphthalene-2-carbonylamino)-3-[4-[[2-oxo-3-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoate has a molecular weight of 684.75 g/mol, XLogP of 6.65, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(naphthalene-2-carbonylamino)-3-[4-[[2-oxo-3-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoate is sourced from PubChem (CID 70050855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).