N-hydroxy-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxamide

C12H9F3N2O3S — CID 11197928

IUPACN-hydroxy-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NO)c1cc(CSc2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C12H9F3N2O3S/c13-12(14,15)7-1-3-9(4-2-7)21-6-8-5-10(17-20-8)11(18)16-19/h1-5,19H,6H2,(H,16,18)
InChIKeyHNHPMMOXEMUQHQ-UHFFFAOYSA-N
MW318.28 g/mol
LogP3.10
Rot. Bonds4

About N-hydroxy-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxamide

N-hydroxy-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxamide (PubChem CID 11197928) has the molecular formula C12H9F3N2O3S and a molecular weight of 318.28 g/mol. Its IUPAC name is N-hydroxy-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxamide
PubChem CID11197928
Molecular FormulaC12H9F3N2O3S
Molecular Weight318.28 g/mol
Exact Mass318.03
IUPAC NameN-hydroxy-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NO)c1cc(CSc2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C12H9F3N2O3S/c13-12(14,15)7-1-3-9(4-2-7)21-6-8-5-10(17-20-8)11(18)16-19/h1-5,19H,6H2,(H,16,18)
InChIKeyHNHPMMOXEMUQHQ-UHFFFAOYSA-N
XLogP3.10
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Isoxazolecarboxamide, N-hydroxy-5-[[(4-methylphenyl)sulfinyl]methyl]-
CID 11242956
N3-[1-methyl-1-(4-methylphenyl)-1-oxo-lambda~6~-sulfanylidene]-5-methylisoxazole-3-carboxamide
CID 2822317
3-Isoxazolecarboxamide, 5-[[(4-chlorophenyl)thio]methyl]-N-hydroxy-
CID 11150314
N-hydroxy-5-[[2-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxamide
CID 11197929
N-hydroxy-5-[(4-methylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide
CID 11231744
3-Isoxazolecarboxamide, N-hydroxy-5-[[(4-methylphenyl)thio]methyl]-
CID 11288532
N-hydroxy-5-[(2-propan-2-ylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide
CID 11324783
3-Isoxazolecarboxamide, 5-[[(2-bromophenyl)thio]methyl]-N-hydroxy-
CID 11381885
3-Isoxazolecarboxamide, 5-[[(4-fluorophenyl)thio]methyl]-N-hydroxy-
CID 11437097
N-hydroxy-5-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,2-oxazole-3-carboxamide
CID 11450381
3-Isoxazolecarboxamide, 5-[[(3-chlorophenyl)thio]methyl]-N-hydroxy-
CID 11460313
3-Isoxazolecarboxamide, 5-[[(3-bromophenyl)thio]methyl]-N-hydroxy-
CID 11461623

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-hydroxy-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxamide (CID 11197928) is N-hydroxy-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-hydroxy-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-hydroxy-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxamide is O=C(NO)c1cc(CSc2ccc(C(F)(F)F)cc2)on1.
What is the InChIKey of N-hydroxy-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is HNHPMMOXEMUQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O3S/c13-12(14,15)7-1-3-9(4-2-7)21-6-8-5-10(17-20-8)11(18)16-19/h1-5,19H,6H2,(H,16,18).
What are the key properties of N-hydroxy-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxamide?
N-hydroxy-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 318.28 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 11197928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).