ethyl 3-[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-pyridinyl]propanoate

C21H22N2O4 — CID 141039508

IUPACethyl 3-[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-pyridinyl]propanoate
SMILESCCOC(=O)CCc1ccc(OCc2nc(-c3ccccc3)oc2C)cn1
InChIInChI=1S/C21H22N2O4/c1-3-25-20(24)12-10-17-9-11-18(13-22-17)26-14-19-15(2)27-21(23-19)16-7-5-4-6-8-16/h4-9,11,13H,3,10,12,14H2,1-2H3
InChIKeyZJFNJNBCHCFXSV-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.12
Rot. Bonds8

About ethyl 3-[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-pyridinyl]propanoate

ethyl 3-[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-pyridinyl]propanoate (PubChem CID 141039508) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is ethyl 3-[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-pyridinyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-pyridinyl]propanoate
PubChem CID141039508
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Nameethyl 3-[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-pyridinyl]propanoate
SMILESCCOC(=O)CCc1ccc(OCc2nc(-c3ccccc3)oc2C)cn1
InChIInChI=1S/C21H22N2O4/c1-3-25-20(24)12-10-17-9-11-18(13-22-17)26-14-19-15(2)27-21(23-19)16-7-5-4-6-8-16/h4-9,11,13H,3,10,12,14H2,1-2H3
InChIKeyZJFNJNBCHCFXSV-UHFFFAOYSA-N
XLogP4.12
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[2-ethoxy-4-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]propanoate
CID 68883694
ethyl 3-[3-ethoxy-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoate
CID 23021915
ethyl (2E,4E)-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]penta-2,4-dienoate
CID 86750133
methyl 2-hydroxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]acetate
CID 15280381
ethyl (8E)-8-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-8-phenyloctanoate
CID 11092886
ethyl 3-[1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-4-phenylpyrrol-3-yl]propanoate
CID 69424005
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 24619168
methyl 3-(ethoxyamino)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]but-2-enoate
CID 90967922
(E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enal
CID 10980111
(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanamine
CID 142052737
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[4-(methylsulfamoyl)phenyl]propanoate
CID 55505433
ethyl (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-enoate
CID 19694380

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-pyridinyl]propanoate?
The IUPAC name of ethyl 3-[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-pyridinyl]propanoate (CID 141039508) is ethyl 3-[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-pyridinyl]propanoate.
What is the SMILES notation for ethyl 3-[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-pyridinyl]propanoate?
The canonical SMILES for ethyl 3-[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-pyridinyl]propanoate is CCOC(=O)CCc1ccc(OCc2nc(-c3ccccc3)oc2C)cn1.
What is the InChIKey of ethyl 3-[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-pyridinyl]propanoate?
The InChIKey is ZJFNJNBCHCFXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-3-25-20(24)12-10-17-9-11-18(13-22-17)26-14-19-15(2)27-21(23-19)16-7-5-4-6-8-16/h4-9,11,13H,3,10,12,14H2,1-2H3.
What are the key properties of ethyl 3-[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-pyridinyl]propanoate?
ethyl 3-[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-pyridinyl]propanoate has a molecular weight of 366.42 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-pyridinyl]propanoate is sourced from PubChem (CID 141039508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).