5-methyl-N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]-1,2-oxazole-4-carboxamide

C15H14F3N3O3 — CID 71806329

IUPAC5-methyl-N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C15H14F3N3O3/c1-9-12(7-20-24-9)14(23)21-11-4-2-10(3-5-11)6-13(22)19-8-15(16,17)18/h2-5,7H,6,8H2,1H3,(H,19,22)(H,21,23)
InChIKeyWTXYFQOGUQJESH-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.46
Rot. Bonds5

About 5-methyl-N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]-1,2-oxazole-4-carboxamide

5-methyl-N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 71806329) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is 5-methyl-N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]-1,2-oxazole-4-carboxamide
PubChem CID71806329
Molecular FormulaC15H14F3N3O3
Molecular Weight341.29 g/mol
Exact Mass341.10
IUPAC Name5-methyl-N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C15H14F3N3O3/c1-9-12(7-20-24-9)14(23)21-11-4-2-10(3-5-11)6-13(22)19-8-15(16,17)18/h2-5,7H,6,8H2,1H3,(H,19,22)(H,21,23)
InChIKeyWTXYFQOGUQJESH-UHFFFAOYSA-N
XLogP2.46
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(113C)methyl-N-[4-(trifluoromethyl)phenyl]-(4,5-13C2)1,2-oxazole-4-carboxamide
CID 10869480
2-(4-acetamidophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 9263287
N-[4-[(2-aminoacetyl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 15871088
N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 19439747
N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 850525
5-methyl-N-[4-(2-methylbutan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 19871639
ethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane
CID 91575161
3-ethyl-5-methyl-N-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 51125656
N-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 119300729
propyl 4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate
CID 43409696
2-[4-[[3-oxo-3-(2,2,2-trifluoroethylamino)propanoyl]amino]phenyl]acetic acid
CID 120537771
N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 51120703

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]-1,2-oxazole-4-carboxamide (CID 71806329) is 5-methyl-N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 5-methyl-N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is WTXYFQOGUQJESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3/c1-9-12(7-20-24-9)14(23)21-11-4-2-10(3-5-11)6-13(22)19-8-15(16,17)18/h2-5,7H,6,8H2,1H3,(H,19,22)(H,21,23).
What are the key properties of 5-methyl-N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]-1,2-oxazole-4-carboxamide?
5-methyl-N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 341.29 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 71806329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).