5-amino-N-(3-chloro-4-fluorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide

C12H11ClFN3O2 — CID 715872

IUPAC5-amino-N-(3-chloro-4-fluorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(N)c1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H11ClFN3O2/c1-2-9-10(11(15)19-17-9)12(18)16-6-3-4-8(14)7(13)5-6/h3-5H,2,15H2,1H3,(H,16,18)
InChIKeyYNXKJVFDOINIGP-UHFFFAOYSA-N
MW283.69 g/mol
LogP2.86
Rot. Bonds3

About 5-amino-N-(3-chloro-4-fluorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide

5-amino-N-(3-chloro-4-fluorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide (PubChem CID 715872) has the molecular formula C12H11ClFN3O2 and a molecular weight of 283.69 g/mol. Its IUPAC name is 5-amino-N-(3-chloro-4-fluorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-chloro-4-fluorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide
PubChem CID715872
Molecular FormulaC12H11ClFN3O2
Molecular Weight283.69 g/mol
Exact Mass283.05
IUPAC Name5-amino-N-(3-chloro-4-fluorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(N)c1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H11ClFN3O2/c1-2-9-10(11(15)19-17-9)12(18)16-6-3-4-8(14)7(13)5-6/h3-5H,2,15H2,1H3,(H,16,18)
InChIKeyYNXKJVFDOINIGP-UHFFFAOYSA-N
XLogP2.86
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.69
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(2-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 1263600
3-(2-chloro-6-fluorophenyl)-N-(2-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1343287
3-(2-chloro-6-fluorophenyl)-N-(2-fluoro-5-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1868174
1-(2,3-Dichloro-phenyl)-3-(3-isopropyl-4-methyl-isoxazol-5-yl)-urea
CID 9927414
N-(3-Chlorophenyl)-N-((8-fluoro-2-oxo-1,2-dihydroquinolin-4-yl)methyl)-3,5-dimethylisoxazole-4-carboxamide
CID 42618052
N-(3-Chlorophenyl)-N-((7,8-difluoro-2-oxo-1,2-dihydroquinolin-4-yl)methyl)-3,5-dimethylisoxazole-4-carboxamide
CID 42618069
1-(3-tert-Butyl-isoxazol-5-yl)-3-(4-chloro-phenyl)-urea
CID 44304987
5-amino-N-(4-fluorophenyl)-3-methylisoxazole-4-carboxamide
CID 1263621
N-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 3851617
3-(2-chloro-6-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-4-isoxazolecarboxamide
CID 1129477
N-[4-chloro-2-(trifluoromethyl)phenyl]-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247481
N-(4-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2304303

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-chloro-4-fluorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-amino-N-(3-chloro-4-fluorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide (CID 715872) is 5-amino-N-(3-chloro-4-fluorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(3-chloro-4-fluorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(3-chloro-4-fluorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide is CCc1noc(N)c1C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 5-amino-N-(3-chloro-4-fluorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide?
The InChIKey is YNXKJVFDOINIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O2/c1-2-9-10(11(15)19-17-9)12(18)16-6-3-4-8(14)7(13)5-6/h3-5H,2,15H2,1H3,(H,16,18).
What are the key properties of 5-amino-N-(3-chloro-4-fluorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide?
5-amino-N-(3-chloro-4-fluorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide has a molecular weight of 283.69 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-chloro-4-fluorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 715872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).