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

C20H19NO3 — CID 141266104

IUPACethyl 2-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(-c2ccc(-c3cc(C)no3)cc2)cc1
InChIInChI=1S/C20H19NO3/c1-3-23-20(22)13-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-14(2)21-24-19/h4-12H,3,13H2,1-2H3
InChIKeyQNQRRMCERKHLRY-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.42
Rot. Bonds5

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

ethyl 2-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]acetate (PubChem CID 141266104) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 2-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]acetate
PubChem CID141266104
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Nameethyl 2-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(-c2ccc(-c3cc(C)no3)cc2)cc1
InChIInChI=1S/C20H19NO3/c1-3-23-20(22)13-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-14(2)21-24-19/h4-12H,3,13H2,1-2H3
InChIKeyQNQRRMCERKHLRY-UHFFFAOYSA-N
XLogP4.42
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-trimethylsilylphenyl)acetate
CID 125466611
5-(4-butylphenyl)-3-methyl-1,2-oxazole
CID 169499000
ethyl 2-[4-(3-hydroxyphenyl)phenyl]acetate
CID 25139319
ethyl 2-[4-(3-chlorophenyl)phenyl]acetate
CID 131887311
ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
CID 170432744
ethyl 2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474427
ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane
CID 23349504
ethyl 2-phenylacetate
CID 7590
ethyl 2-[4-[4-[4-[2-[(1R)-1-(3,5-dibromophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate
CID 58539348
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)acetate
CID 16869611
ethyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
CID 13035537
ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate
CID 10446326

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]acetate (CID 141266104) is ethyl 2-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]acetate is CCOC(=O)Cc1ccc(-c2ccc(-c3cc(C)no3)cc2)cc1.
What is the InChIKey of ethyl 2-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]acetate?
The InChIKey is QNQRRMCERKHLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-3-23-20(22)13-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-14(2)21-24-19/h4-12H,3,13H2,1-2H3.
What are the key properties of ethyl 2-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]acetate?
ethyl 2-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]acetate has a molecular weight of 321.38 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]acetate is sourced from PubChem (CID 141266104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).