N-[3,5-bis(trifluoromethyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C15H12F6N2O2 — CID 78802108

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H12F6N2O2/c1-7-12(8(2)25-23-7)6-13(24)22-11-4-9(14(16,17)18)3-10(5-11)15(19,20)21/h3-5H,6H2,1-2H3,(H,22,24)
InChIKeyWGMYTKVMUYDLTA-UHFFFAOYSA-N
MW366.26 g/mol
LogP4.51
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 78802108) has the molecular formula C15H12F6N2O2 and a molecular weight of 366.26 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID78802108
Molecular FormulaC15H12F6N2O2
Molecular Weight366.26 g/mol
Exact Mass366.08
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H12F6N2O2/c1-7-12(8(2)25-23-7)6-13(24)22-11-4-9(14(16,17)18)3-10(5-11)15(19,20)21/h3-5H,6H2,1-2H3,(H,22,24)
InChIKeyWGMYTKVMUYDLTA-UHFFFAOYSA-N
XLogP4.51
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 7926548
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 9116070
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 43429579
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 47215907
N-(3-cyanophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 17425777
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 17417848
ethyl 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoate
CID 17488167
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 47044065
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluoro-4-hydroxyphenyl)acetamide
CID 86787189
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-phenoxyphenyl)acetamide
CID 78794827
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
CID 29409562
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 37121675

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 78802108) is N-[3,5-bis(trifluoromethyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1noc(C)c1CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is WGMYTKVMUYDLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F6N2O2/c1-7-12(8(2)25-23-7)6-13(24)22-11-4-9(14(16,17)18)3-10(5-11)15(19,20)21/h3-5H,6H2,1-2H3,(H,22,24).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 366.26 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 78802108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).