N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide

C11H7F3N2O2 — CID 2744444

IUPACN-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccno1
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)7-1-3-8(4-2-7)16-10(17)9-5-6-15-18-9/h1-6H,(H,16,17)
InChIKeyVGEIVBBLSHWPTQ-UHFFFAOYSA-N
MW256.18 g/mol
LogP2.95
Rot. Bonds2

About N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide

N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 2744444) has the molecular formula C11H7F3N2O2 and a molecular weight of 256.18 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID2744444
Molecular FormulaC11H7F3N2O2
Molecular Weight256.18 g/mol
Exact Mass256.05
IUPAC NameN-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccno1
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)7-1-3-8(4-2-7)16-10(17)9-5-6-15-18-9/h1-6H,(H,16,17)
InChIKeyVGEIVBBLSHWPTQ-UHFFFAOYSA-N
XLogP2.95
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Leflunomide
CID 3899
N-((4-(4-methylpiperazin-1-yl)phenyl)methyl)-1,2-oxazole-5-carboxamide
CID 2738575
N-(4-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 6622808
N-(2-methylphenyl)-1,2-oxazole-5-carboxamide
CID 7996638
3-methyl-N-(4-methylphenyl)isoxazole-5-carboxamide
CID 6619782
N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]isoxazole-5-carboxamide
CID 16745822
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-methylisoxazole-5-carboxamide
CID 53324153
N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 129626030
5-Methyl-N-[2-(trifluoromethyl)phenyl]isoxazole-4-carboxamide
CID 21912858
5-Methyl-N-(3-(trifluoromethyl)phenyl)isoxazole-4-carboxamide
CID 7314718
Isoxazole-5-carboxylic acid (cyclopentylcarbamoyl-phenyl-methyl)-phenyl-amide
CID 3210624
N-(2-methyl-5-(3-(trifluoromethyl)phenylcarbamoyl)phenyl)isoxazole-5-carboxamide 2,2,2-trifluoroacetate
CID 46902897

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide (CID 2744444) is N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccno1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is VGEIVBBLSHWPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O2/c12-11(13,14)7-1-3-8(4-2-7)16-10(17)9-5-6-15-18-9/h1-6H,(H,16,17).
What are the key properties of N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide?
N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 256.18 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 2744444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).