ethyl 5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate

C28H27NO5 — CID 24773533

IUPACethyl 5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cc(CC)c(OCc3ccccc3)cc2OCc2ccccc2)on1
InChIInChI=1S/C28H27NO5/c1-3-22-15-23(27-16-24(29-34-27)28(30)31-4-2)26(33-19-21-13-9-6-10-14-21)17-25(22)32-18-20-11-7-5-8-12-20/h5-17H,3-4,18-19H2,1-2H3
InChIKeyWZAYYVGVDNSCSR-UHFFFAOYSA-N
MW457.53 g/mol
LogP6.24
Rot. Bonds10

About ethyl 5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate

ethyl 5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate (PubChem CID 24773533) has the molecular formula C28H27NO5 and a molecular weight of 457.53 g/mol. Its IUPAC name is ethyl 5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
PubChem CID24773533
Molecular FormulaC28H27NO5
Molecular Weight457.53 g/mol
Exact Mass457.19
IUPAC Nameethyl 5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cc(CC)c(OCc3ccccc3)cc2OCc2ccccc2)on1
InChIInChI=1S/C28H27NO5/c1-3-22-15-23(27-16-24(29-34-27)28(30)31-4-2)26(33-19-21-13-9-6-10-14-21)17-25(22)32-18-20-11-7-5-8-12-20/h5-17H,3-4,18-19H2,1-2H3
InChIKeyWZAYYVGVDNSCSR-UHFFFAOYSA-N
XLogP6.24
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24773353
methyl 5-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 154791660
N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide
CID 70800264
N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24774116
ethyl 5-[2-(4-nitrophenoxy)-4,6-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 66759309
ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
CID 154791670
2-[3-[3-[2-ethyl-4-(1,2-oxazol-5-yl)-5-phenylmethoxyphenoxy]propoxy]-2-propylphenoxy]benzoic acid
CID 22666252
ethyl 5-(2-phenylethyl)-1,2-oxazole-3-carboxylate
CID 90326174
1-[2,4-dihydroxy-5-(2-methylpropyl)phenyl]ethanone;1-(2,4-dihydroxyphenyl)-2-methylpropan-1-one;ethyl 4-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-2,4-dioxobutanoate;ethyl 5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxylate;1-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]ethanone;4-(2-methylpropyl)benzene-1,3-diol
CID 157375205
ethyl 5-(3-ethylpyrazin-2-yl)-1,2-oxazole-3-carboxylate
CID 154791696
ethyl 5-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate
CID 44819362
4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
CID 156760748

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate (CID 24773533) is ethyl 5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2cc(CC)c(OCc3ccccc3)cc2OCc2ccccc2)on1.
What is the InChIKey of ethyl 5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate?
The InChIKey is WZAYYVGVDNSCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO5/c1-3-22-15-23(27-16-24(29-34-27)28(30)31-4-2)26(33-19-21-13-9-6-10-14-21)17-25(22)32-18-20-11-7-5-8-12-20/h5-17H,3-4,18-19H2,1-2H3.
What are the key properties of ethyl 5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate?
ethyl 5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate has a molecular weight of 457.53 g/mol, XLogP of 6.24, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 24773533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).