[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate

C26H21FN2O5 — CID 31700030

IUPAC[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
SMILESCc1ccc(-c2nc(COC(=O)c3ccccc3OCC(=O)Nc3ccccc3F)co2)cc1
InChIInChI=1S/C26H21FN2O5/c1-17-10-12-18(13-11-17)25-28-19(14-33-25)15-34-26(31)20-6-2-5-9-23(20)32-16-24(30)29-22-8-4-3-7-21(22)27/h2-14H,15-16H2,1H3,(H,29,30)
InChIKeySHMVOSORCQMFKG-UHFFFAOYSA-N
MW460.46 g/mol
LogP5.16
Rot. Bonds8

About [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate

[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate (PubChem CID 31700030) has the molecular formula C26H21FN2O5 and a molecular weight of 460.46 g/mol. Its IUPAC name is [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
PubChem CID31700030
Molecular FormulaC26H21FN2O5
Molecular Weight460.46 g/mol
Exact Mass460.14
IUPAC Name[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
SMILESCc1ccc(-c2nc(COC(=O)c3ccccc3OCC(=O)Nc3ccccc3F)co2)cc1
InChIInChI=1S/C26H21FN2O5/c1-17-10-12-18(13-11-17)25-28-19(14-33-25)15-34-26(31)20-6-2-5-9-23(20)32-16-24(30)29-22-8-4-3-7-21(22)27/h2-14H,15-16H2,1H3,(H,29,30)
InChIKeySHMVOSORCQMFKG-UHFFFAOYSA-N
XLogP5.16
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.46
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate 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

[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-(2-amino-2-oxoethoxy)benzoate
CID 55543032
butyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 33395881
(2-chloroquinolin-3-yl)methyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 29395849
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-fluoro-4-methylphenyl)benzamide
CID 26523025
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 42970641
2-(4-methoxyphenyl)ethyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 30052455
N-(2-fluorophenyl)-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 46267221
ethyl 4-ethyl-6-[[2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 42899192
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate
CID 55547095
[2-(2-fluoroanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229246
2-(2,3-dimethylphenoxy)-N-(2-fluorophenyl)acetamide
CID 720662
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate
CID 18085090

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate?
The IUPAC name of [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate (CID 31700030) is [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate.
What is the SMILES notation for [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate?
The canonical SMILES for [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate is Cc1ccc(-c2nc(COC(=O)c3ccccc3OCC(=O)Nc3ccccc3F)co2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate?
The InChIKey is SHMVOSORCQMFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O5/c1-17-10-12-18(13-11-17)25-28-19(14-33-25)15-34-26(31)20-6-2-5-9-23(20)32-16-24(30)29-22-8-4-3-7-21(22)27/h2-14H,15-16H2,1H3,(H,29,30).
What are the key properties of [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate?
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate has a molecular weight of 460.46 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 31700030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).