[3-[3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazol-5-yl] formate

C25H20F2N2O4 — CID 118473087

IUPAC[3-[3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazol-5-yl] formate
SMILESCc1ccc(C2=NOC(C)(OC=O)C2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C25H20F2N2O4/c1-15-6-7-17(22-13-25(2,32-14-30)33-29-22)12-19(15)16-8-10-18(11-9-16)28-24(31)23-20(26)4-3-5-21(23)27/h3-12,14H,13H2,1-2H3,(H,28,31)
InChIKeyCZVTUMSSSXTNQX-UHFFFAOYSA-N
MW450.44 g/mol
LogP5.21
Rot. Bonds6

About [3-[3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazol-5-yl] formate

[3-[3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazol-5-yl] formate (PubChem CID 118473087) has the molecular formula C25H20F2N2O4 and a molecular weight of 450.44 g/mol. Its IUPAC name is [3-[3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazol-5-yl] formate.

Molecular Properties

Compound Name[3-[3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazol-5-yl] formate
PubChem CID118473087
Molecular FormulaC25H20F2N2O4
Molecular Weight450.44 g/mol
Exact Mass450.14
IUPAC Name[3-[3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazol-5-yl] formate
SMILESCc1ccc(C2=NOC(C)(OC=O)C2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C25H20F2N2O4/c1-15-6-7-17(22-13-25(2,32-14-30)33-29-22)12-19(15)16-8-10-18(11-9-16)28-24(31)23-20(26)4-3-5-21(23)27/h3-12,14H,13H2,1-2H3,(H,28,31)
InChIKeyCZVTUMSSSXTNQX-UHFFFAOYSA-N
XLogP5.21
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.44
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [3-[3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazol-5-yl] formate 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

3-[3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 67515366
2,6-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64794940
3,5-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide
CID 58683776
2,6-difluoro-N-[6-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]-3-pyridinyl]benzamide
CID 24775811
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
2,6-difluoro-N-[5-[5-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide
CID 118473086
2,6-difluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)phenyl]benzamide
CID 87056586
methyl 3-[6-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-4-methylbenzoate
CID 24775151
1-(3-bromo-4-methylphenyl)ethanone;3-(3-bromo-4-methylphenyl)-5-methyl-1H-pyrazole;2,6-difluoro-N-[4-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)phenyl]phenyl]benzamide
CID 161041508
N-[4-(2,5-dichlorophenyl)phenyl]-2,6-difluorobenzamide
CID 11222663
2,6-difluoro-N-[4-(2,2,6-trimethylchromen-4-yl)phenyl]benzamide
CID 87056899
2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-6-fluorobenzamide
CID 67515178

Frequently Asked Questions

What is the IUPAC name of [3-[3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazol-5-yl] formate?
The IUPAC name of [3-[3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazol-5-yl] formate (CID 118473087) is [3-[3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazol-5-yl] formate.
What is the SMILES notation for [3-[3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazol-5-yl] formate?
The canonical SMILES for [3-[3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazol-5-yl] formate is Cc1ccc(C2=NOC(C)(OC=O)C2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of [3-[3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazol-5-yl] formate?
The InChIKey is CZVTUMSSSXTNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O4/c1-15-6-7-17(22-13-25(2,32-14-30)33-29-22)12-19(15)16-8-10-18(11-9-16)28-24(31)23-20(26)4-3-5-21(23)27/h3-12,14H,13H2,1-2H3,(H,28,31).
What are the key properties of [3-[3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazol-5-yl] formate?
[3-[3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazol-5-yl] formate has a molecular weight of 450.44 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazol-5-yl] formate is sourced from PubChem (CID 118473087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).