methyl 3-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]benzoate

C23H19NO5 — CID 123865223

IUPACmethyl 3-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]benzoate
SMILESCOC(=O)c1cccc(OC2=C[C@@H](c3ccc(Oc4ccccc4)cc3)ON2)c1
InChIInChI=1S/C23H19NO5/c1-26-23(25)17-6-5-9-20(14-17)28-22-15-21(29-24-22)16-10-12-19(13-11-16)27-18-7-3-2-4-8-18/h2-15,21,24H,1H3/t21-/m0/s1
InChIKeyKNONENWSTMFAMJ-NRFANRHFSA-N
MW389.41 g/mol
LogP4.76
Rot. Bonds6

About methyl 3-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]benzoate

methyl 3-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]benzoate (PubChem CID 123865223) has the molecular formula C23H19NO5 and a molecular weight of 389.41 g/mol. Its IUPAC name is methyl 3-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]benzoate.

Molecular Properties

Compound Namemethyl 3-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]benzoate
PubChem CID123865223
Molecular FormulaC23H19NO5
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Namemethyl 3-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]benzoate
SMILESCOC(=O)c1cccc(OC2=C[C@@H](c3ccc(Oc4ccccc4)cc3)ON2)c1
InChIInChI=1S/C23H19NO5/c1-26-23(25)17-6-5-9-20(14-17)28-22-15-21(29-24-22)16-10-12-19(13-11-16)27-18-7-3-2-4-8-18/h2-15,21,24H,1H3/t21-/m0/s1
InChIKeyKNONENWSTMFAMJ-NRFANRHFSA-N
XLogP4.76
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]benzoate?
The IUPAC name of methyl 3-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]benzoate (CID 123865223) is methyl 3-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]benzoate.
What is the SMILES notation for methyl 3-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]benzoate?
The canonical SMILES for methyl 3-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]benzoate is COC(=O)c1cccc(OC2=C[C@@H](c3ccc(Oc4ccccc4)cc3)ON2)c1.
What is the InChIKey of methyl 3-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]benzoate?
The InChIKey is KNONENWSTMFAMJ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H19NO5/c1-26-23(25)17-6-5-9-20(14-17)28-22-15-21(29-24-22)16-10-12-19(13-11-16)27-18-7-3-2-4-8-18/h2-15,21,24H,1H3/t21-/m0/s1.
What are the key properties of methyl 3-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]benzoate?
methyl 3-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]benzoate has a molecular weight of 389.41 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]benzoate is sourced from PubChem (CID 123865223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).