(2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-methoxyphenyl)propanoate

C20H19NO4 — CID 31718301

IUPAC(2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCc2coc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H19NO4/c1-23-18-10-7-15(8-11-18)9-12-19(22)24-13-17-14-25-20(21-17)16-5-3-2-4-6-16/h2-8,10-11,14H,9,12-13H2,1H3
InChIKeyNGNTXXBFMSDXIF-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.03
Rot. Bonds7

About (2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-methoxyphenyl)propanoate

(2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-methoxyphenyl)propanoate (PubChem CID 31718301) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Name(2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-methoxyphenyl)propanoate
PubChem CID31718301
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name(2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCc2coc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H19NO4/c1-23-18-10-7-15(8-11-18)9-12-19(22)24-13-17-14-25-20(21-17)16-5-3-2-4-6-16/h2-8,10-11,14H,9,12-13H2,1H3
InChIKeyNGNTXXBFMSDXIF-UHFFFAOYSA-N
XLogP4.03
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl butanoate
CID 55537653
(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626
3-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanehydrazide
CID 67706985
(2-phenyl-1,3-oxazol-4-yl)methyl 3-[(2-phenylacetyl)amino]propanoate
CID 55508930
(2-phenyl-1,3-oxazol-4-yl)methyl 2-bromo-5-methoxybenzoate
CID 18085087
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-cyclopentylacetate
CID 55538335
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 16870033
N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide
CID 166392327
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-ethoxyphenyl)propanoate
CID 55546213
(2-phenyl-1,3-oxazol-4-yl)methyl 6-methoxypyridine-3-carboxylate
CID 18099446
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 4-[(carbamoylamino)methyl]benzoate
CID 55539141
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523165

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-methoxyphenyl)propanoate?
The IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-methoxyphenyl)propanoate (CID 31718301) is (2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for (2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-methoxyphenyl)propanoate?
The canonical SMILES for (2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-methoxyphenyl)propanoate is COc1ccc(CCC(=O)OCc2coc(-c3ccccc3)n2)cc1.
What is the InChIKey of (2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-methoxyphenyl)propanoate?
The InChIKey is NGNTXXBFMSDXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-23-18-10-7-15(8-11-18)9-12-19(22)24-13-17-14-25-20(21-17)16-5-3-2-4-6-16/h2-8,10-11,14H,9,12-13H2,1H3.
What are the key properties of (2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-methoxyphenyl)propanoate?
(2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-methoxyphenyl)propanoate has a molecular weight of 337.38 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 31718301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).