3-methoxy-N-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide

C12H9F3N2O4 — CID 71802481

IUPAC3-methoxy-N-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)Nc2ccccc2OC(F)(F)F)on1
InChIInChI=1S/C12H9F3N2O4/c1-19-10-6-9(21-17-10)11(18)16-7-4-2-3-5-8(7)20-12(13,14)15/h2-6H,1H3,(H,16,18)
InChIKeyLIASZIKASQFCQA-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.83
Rot. Bonds4

About 3-methoxy-N-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide

3-methoxy-N-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 71802481) has the molecular formula C12H9F3N2O4 and a molecular weight of 302.21 g/mol. Its IUPAC name is 3-methoxy-N-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID71802481
Molecular FormulaC12H9F3N2O4
Molecular Weight302.21 g/mol
Exact Mass302.05
IUPAC Name3-methoxy-N-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)Nc2ccccc2OC(F)(F)F)on1
InChIInChI=1S/C12H9F3N2O4/c1-19-10-6-9(21-17-10)11(18)16-7-4-2-3-5-8(7)20-12(13,14)15/h2-6H,1H3,(H,16,18)
InChIKeyLIASZIKASQFCQA-UHFFFAOYSA-N
XLogP2.83
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-3-methylisoxazole-5-carboxamide
CID 7726776
3-Isoxazolecarboxamide, N-(2-methoxyphenyl)-5-methyl-
CID 3021345
N-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide
CID 2471358
N-(2-methoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 110859813
5-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-3-methoxy-
CID 3073027
N-(2-(4-fluorophenoxy)ethyl)-3-methoxyisoxazole-5-carboxamide
CID 71802433
N-(4-bromo-2-fluorophenyl)-3-methoxyisoxazole-5-carboxamide
CID 71802461
3-(benzyloxy)-N-(3-(trifluoromethyl)phenyl)isoxazole-5-carboxamide
CID 71802504
N-(2-methoxy-5-nitrophenyl)isoxazole-5-carboxamide
CID 18587290
N-(2-methoxy-4-nitrophenyl)isoxazole-5-carboxamide
CID 18587291
N-(4-butylphenyl)-3-methoxyisoxazole-5-carboxamide
CID 71802449
3-methoxy-N-(4-phenoxyphenyl)isoxazole-5-carboxamide
CID 71802456

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methoxy-N-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide (CID 71802481) is 3-methoxy-N-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-N-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methoxy-N-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide is COc1cc(C(=O)Nc2ccccc2OC(F)(F)F)on1.
What is the InChIKey of 3-methoxy-N-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is LIASZIKASQFCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O4/c1-19-10-6-9(21-17-10)11(18)16-7-4-2-3-5-8(7)20-12(13,14)15/h2-6H,1H3,(H,16,18).
What are the key properties of 3-methoxy-N-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide?
3-methoxy-N-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 302.21 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71802481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).