N-phenyl-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid

C12H9F3N2O4 — CID 121439909

IUPACN-phenyl-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1ccccc1)c1ccno1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H8N2O2.C2HF3O2/c13-10(9-6-7-11-14-9)12-8-4-2-1-3-5-8;3-2(4,5)1(6)7/h1-7H,(H,12,13);(H,6,7)
InChIKeyWSUAXIAXGNZYLA-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.56
Rot. Bonds2

About N-phenyl-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid

N-phenyl-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 121439909) has the molecular formula C12H9F3N2O4 and a molecular weight of 302.21 g/mol. Its IUPAC name is N-phenyl-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-phenyl-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID121439909
Molecular FormulaC12H9F3N2O4
Molecular Weight302.21 g/mol
Exact Mass302.05
IUPAC NameN-phenyl-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1ccccc1)c1ccno1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H8N2O2.C2HF3O2/c13-10(9-6-7-11-14-9)12-8-4-2-1-3-5-8;3-2(4,5)1(6)7/h1-7H,(H,12,13);(H,6,7)
InChIKeyWSUAXIAXGNZYLA-UHFFFAOYSA-N
XLogP2.56
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-1,2-oxazole-5-carboxamide
CID 7996638
N-(2-(piperidin-1-yl)phenyl)isoxazole-5-carboxamide
CID 11277266
N-(2,4-difluorophenyl)-3-methylisoxazole-5-carboxamide
CID 8065344
N-(2-methyl-5-(3-(trifluoromethyl)phenylcarbamoyl)phenyl)isoxazole-5-carboxamide 2,2,2-trifluoroacetate
CID 46902897
N-(4-chlorophenyl)isoxazole-5-carboxamide
CID 2744445
N-[6-(2-aminoanilino)-6-oxohexyl]-1,2-oxazole-5-carboxamide
CID 45137578
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide
CID 90010773
5-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-
CID 3073026
N-(4-fluorophenyl)isoxazole-5-carboxamide
CID 18587294
N-(4-bromophenyl)-1,2-oxazole-5-carboxamide
CID 18587281
N-[5-(2-aminoanilino)-5-oxopentyl]-1,2-oxazole-5-carboxamide
CID 60207654
N-(4-nitrophenyl)isoxazole-5-carboxamide
CID 18587279

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-phenyl-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid (CID 121439909) is N-phenyl-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-phenyl-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-phenyl-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid is O=C(Nc1ccccc1)c1ccno1.O=C(O)C(F)(F)F.
What is the InChIKey of N-phenyl-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is WSUAXIAXGNZYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2.C2HF3O2/c13-10(9-6-7-11-14-9)12-8-4-2-1-3-5-8;3-2(4,5)1(6)7/h1-7H,(H,12,13);(H,6,7).
What are the key properties of N-phenyl-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid?
N-phenyl-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 302.21 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 121439909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).