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

C32H27FN2O4 — CID 91025622

IUPAC4-ethyl-5-[5-(4-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
SMILESCCc1c(C(N)=O)noc1-c1cc(-c2ccc(F)cc2)c(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C32H27FN2O4/c1-2-25-30(32(34)36)35-39-31(25)27-17-26(23-13-15-24(33)16-14-23)28(37-19-21-9-5-3-6-10-21)18-29(27)38-20-22-11-7-4-8-12-22/h3-18H,2,19-20H2,1H3,(H2,34,36)
InChIKeyNKBCKLIOTQXDNF-UHFFFAOYSA-N
MW522.58 g/mol
LogP6.97
Rot. Bonds10

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

4-ethyl-5-[5-(4-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 91025622) has the molecular formula C32H27FN2O4 and a molecular weight of 522.58 g/mol. Its IUPAC name is 4-ethyl-5-[5-(4-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-[5-(4-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID91025622
Molecular FormulaC32H27FN2O4
Molecular Weight522.58 g/mol
Exact Mass522.20
IUPAC Name4-ethyl-5-[5-(4-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
SMILESCCc1c(C(N)=O)noc1-c1cc(-c2ccc(F)cc2)c(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C32H27FN2O4/c1-2-25-30(32(34)36)35-39-31(25)27-17-26(23-13-15-24(33)16-14-23)28(37-19-21-9-5-3-6-10-21)18-29(27)38-20-22-11-7-4-8-12-22/h3-18H,2,19-20H2,1H3,(H2,34,36)
InChIKeyNKBCKLIOTQXDNF-UHFFFAOYSA-N
XLogP6.97
TPSA87.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.58
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-5-[5-(4-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24774044
4-[4-(diethylaminomethyl)phenyl]-N-ethyl-5-[5-phenyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24773881
3-[2-ethyl-4-(4-fluorophenyl)-5-phenylmethoxyphenoxy]propyl-triphenylphosphanium
CID 19375856
4-amino-5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 123255919
4-amino-5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-1,2-oxazole-3-carboxylic acid
CID 123210670
5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-4-iodo-1,2-oxazole-3-carboxylic acid
CID 142773781
5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 24774440
ethyl 3-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-phenylmethoxyphenoxy]propoxy]-6-[4-(2H-tetrazol-5-yl)butoxy]phenyl]propanoate
CID 11802820
5-[2-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-phenylmethoxyphenoxy]propoxy]phenyl]ethyl]-2H-tetrazole
CID 10840451
methyl 3-[2-[4-[2-ethyl-4-(4-fluorophenyl)-5-phenylmethoxyphenoxy]but-1-enyl]phenyl]prop-2-ynoate
CID 139620321
N-ethyl-4-(4-formylphenyl)-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24773534
2-[3-[3-[2-ethyl-4-(4-fluorophenyl)-5-phenylmethoxyphenoxy]propoxy]-2-propylphenoxy]-4-fluorobenzoic acid
CID 18754183

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[5-(4-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-ethyl-5-[5-(4-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide (CID 91025622) is 4-ethyl-5-[5-(4-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-ethyl-5-[5-(4-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-ethyl-5-[5-(4-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide is CCc1c(C(N)=O)noc1-c1cc(-c2ccc(F)cc2)c(OCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of 4-ethyl-5-[5-(4-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is NKBCKLIOTQXDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27FN2O4/c1-2-25-30(32(34)36)35-39-31(25)27-17-26(23-13-15-24(33)16-14-23)28(37-19-21-9-5-3-6-10-21)18-29(27)38-20-22-11-7-4-8-12-22/h3-18H,2,19-20H2,1H3,(H2,34,36).
What are the key properties of 4-ethyl-5-[5-(4-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide?
4-ethyl-5-[5-(4-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 522.58 g/mol, XLogP of 6.97, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[5-(4-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91025622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).