4-bromo-N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide

C32H26BrFN2O4 — CID 24774044

IUPAC4-bromo-N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(-c3ccccc3F)c(OCc3ccccc3)cc2OCc2ccccc2)c1Br
InChIInChI=1S/C32H26BrFN2O4/c1-2-35-32(37)30-29(33)31(40-36-30)25-17-24(23-15-9-10-16-26(23)34)27(38-19-21-11-5-3-6-12-21)18-28(25)39-20-22-13-7-4-8-14-22/h3-18H,2,19-20H2,1H3,(H,35,37)
InChIKeyDDYYMGKQBFAFAS-UHFFFAOYSA-N
MW601.47 g/mol
LogP7.82
Rot. Bonds10

About 4-bromo-N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide

4-bromo-N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 24774044) has the molecular formula C32H26BrFN2O4 and a molecular weight of 601.47 g/mol. Its IUPAC name is 4-bromo-N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID24774044
Molecular FormulaC32H26BrFN2O4
Molecular Weight601.47 g/mol
Exact Mass600.11
IUPAC Name4-bromo-N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(-c3ccccc3F)c(OCc3ccccc3)cc2OCc2ccccc2)c1Br
InChIInChI=1S/C32H26BrFN2O4/c1-2-35-32(37)30-29(33)31(40-36-30)25-17-24(23-15-9-10-16-26(23)34)27(38-19-21-11-5-3-6-12-21)18-28(25)39-20-22-13-7-4-8-14-22/h3-18H,2,19-20H2,1H3,(H,35,37)
InChIKeyDDYYMGKQBFAFAS-UHFFFAOYSA-N
XLogP7.82
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.47
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24774116
4-[4-(diethylaminomethyl)phenyl]-N-ethyl-5-[5-phenyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24773881
5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 24774440
4-ethyl-5-[5-(4-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 91025622
N-ethyl-4-(4-formylphenyl)-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24773534
N-ethyl-5-[5-(2-fluorophenyl)-2,4-dihydroxyphenyl]-4-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 136624721
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(3-thiophen-3-yl-1,2-oxazol-5-yl)-1,2-oxazole-3-carboxamide
CID 67375076
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(2-ethyltetrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 67374989
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(oxiran-2-yl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide
CID 87376641
N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24773353
N-ethyl-5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 24773624
3-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-methyl-1,2-oxazole-5-carboxamide;ethane
CID 145125230

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-bromo-N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide (CID 24774044) is 4-bromo-N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide is CCNC(=O)c1noc(-c2cc(-c3ccccc3F)c(OCc3ccccc3)cc2OCc2ccccc2)c1Br.
What is the InChIKey of 4-bromo-N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is DDYYMGKQBFAFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26BrFN2O4/c1-2-35-32(37)30-29(33)31(40-36-30)25-17-24(23-15-9-10-16-26(23)34)27(38-19-21-11-5-3-6-12-21)18-28(25)39-20-22-13-7-4-8-14-22/h3-18H,2,19-20H2,1H3,(H,35,37).
What are the key properties of 4-bromo-N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide?
4-bromo-N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 601.47 g/mol, XLogP of 7.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24774044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).