N-(3,4-difluorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

C13H12F2N2O2 — CID 9210309

IUPACN-(3,4-difluorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H12F2N2O2/c1-3-11-12(7(2)19-17-11)13(18)16-8-4-5-9(14)10(15)6-8/h4-6H,3H2,1-2H3,(H,16,18)
InChIKeyCJCAWBZLWUKXEZ-UHFFFAOYSA-N
MW266.25 g/mol
LogP3.08
Rot. Bonds3

About N-(3,4-difluorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

N-(3,4-difluorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 9210309) has the molecular formula C13H12F2N2O2 and a molecular weight of 266.25 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID9210309
Molecular FormulaC13H12F2N2O2
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC NameN-(3,4-difluorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H12F2N2O2/c1-3-11-12(7(2)19-17-11)13(18)16-8-4-5-9(14)10(15)6-8/h4-6H,3H2,1-2H3,(H,16,18)
InChIKeyCJCAWBZLWUKXEZ-UHFFFAOYSA-N
XLogP3.08
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-difluorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-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

Leflunomide
CID 3899
3-Isoxazolecarboxamide, 5-methyl-N-(2-(trifluoromethyl)phenyl)-
CID 3073007
N-(4-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 6622808
5-amino-N-(2-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 1263600
Mls003170801
CID 332790
N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 975481
N-(2-fluorobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247514
N-(4-cyanophenyl)-3,5-dimethylisoxazole-4-carboxamide
CID 2741509
3,7-Dimethyl-5-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 2745397
N-{4-[(3,5-dimethylisoxazol-4-yl)carbonylamino]phenyl}acetamide
CID 4791027
N-[4-(diethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4791029
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 9210309) is N-(3,4-difluorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is CJCAWBZLWUKXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2/c1-3-11-12(7(2)19-17-11)13(18)16-8-4-5-9(14)10(15)6-8/h4-6H,3H2,1-2H3,(H,16,18).
What are the key properties of N-(3,4-difluorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-(3,4-difluorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 266.25 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 9210309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).