ethyl 3-[[3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate

C20H16F2N2O4 — CID 50805811

IUPACethyl 3-[[3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2c(-c3ccc(F)cc3F)noc2C)c1
InChIInChI=1S/C20H16F2N2O4/c1-3-27-20(26)12-5-4-6-14(9-12)23-19(25)17-11(2)28-24-18(17)15-8-7-13(21)10-16(15)22/h4-10H,3H2,1-2H3,(H,23,25)
InChIKeyMJZHYACUTRTJBJ-UHFFFAOYSA-N
MW386.35 g/mol
LogP4.36
Rot. Bonds5

About ethyl 3-[[3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate

ethyl 3-[[3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate (PubChem CID 50805811) has the molecular formula C20H16F2N2O4 and a molecular weight of 386.35 g/mol. Its IUPAC name is ethyl 3-[[3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate
PubChem CID50805811
Molecular FormulaC20H16F2N2O4
Molecular Weight386.35 g/mol
Exact Mass386.11
IUPAC Nameethyl 3-[[3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2c(-c3ccc(F)cc3F)noc2C)c1
InChIInChI=1S/C20H16F2N2O4/c1-3-27-20(26)12-5-4-6-14(9-12)23-19(25)17-11(2)28-24-18(17)15-8-7-13(21)10-16(15)22/h4-10H,3H2,1-2H3,(H,23,25)
InChIKeyMJZHYACUTRTJBJ-UHFFFAOYSA-N
XLogP4.36
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.35
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[[3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

diethyl 5-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 43009709
N-(3-chloro-4-methylphenyl)-3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805507
2-ethoxyethyl 3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate
CID 19172143
3-(2,4-difluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 50805633
3-(2-chloro-6-fluorophenyl)-N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 31365657
3-(4-bromo-2-fluorophenyl)-5-methyl-N-[3-[2-oxo-2-(3,4,5-trimethylanilino)ethyl]phenyl]-1,2-oxazole-4-carboxamide
CID 59119329
ethyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
CID 115497035
ethyl 3-acetamidobenzoate
CID 700589
3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoic acid
CID 1042639
ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate
CID 17066429
ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]benzoate
CID 9228357
N-[3-[(4-fluorophenyl)methoxy]phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 34608313

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 3-[[3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate (CID 50805811) is ethyl 3-[[3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)c2c(-c3ccc(F)cc3F)noc2C)c1.
What is the InChIKey of ethyl 3-[[3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate?
The InChIKey is MJZHYACUTRTJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O4/c1-3-27-20(26)12-5-4-6-14(9-12)23-19(25)17-11(2)28-24-18(17)15-8-7-13(21)10-16(15)22/h4-10H,3H2,1-2H3,(H,23,25).
What are the key properties of ethyl 3-[[3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate?
ethyl 3-[[3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate has a molecular weight of 386.35 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate is sourced from PubChem (CID 50805811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).