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

C13H11F3N2O3S — CID 11450381

IUPACN-hydroxy-5-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NO)c1cc(CSCc2cccc(C(F)(F)F)c2)on1
InChIInChI=1S/C13H11F3N2O3S/c14-13(15,16)9-3-1-2-8(4-9)6-22-7-10-5-11(18-21-10)12(19)17-20/h1-5,20H,6-7H2,(H,17,19)
InChIKeyWNEXZQCPNJIGMY-UHFFFAOYSA-N
MW332.30 g/mol
LogP3.25
Rot. Bonds5

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

N-hydroxy-5-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,2-oxazole-3-carboxamide (PubChem CID 11450381) has the molecular formula C13H11F3N2O3S and a molecular weight of 332.30 g/mol. Its IUPAC name is N-hydroxy-5-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,2-oxazole-3-carboxamide
PubChem CID11450381
Molecular FormulaC13H11F3N2O3S
Molecular Weight332.30 g/mol
Exact Mass332.04
IUPAC NameN-hydroxy-5-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NO)c1cc(CSCc2cccc(C(F)(F)F)c2)on1
InChIInChI=1S/C13H11F3N2O3S/c14-13(15,16)9-3-1-2-8(4-9)6-22-7-10-5-11(18-21-10)12(19)17-20/h1-5,20H,6-7H2,(H,17,19)
InChIKeyWNEXZQCPNJIGMY-UHFFFAOYSA-N
XLogP3.25
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 53.25
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-hydroxy-5-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,2-oxazole-3-carboxamide (CID 11450381) is N-hydroxy-5-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-hydroxy-5-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-hydroxy-5-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,2-oxazole-3-carboxamide is O=C(NO)c1cc(CSCc2cccc(C(F)(F)F)c2)on1.
What is the InChIKey of N-hydroxy-5-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is WNEXZQCPNJIGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3S/c14-13(15,16)9-3-1-2-8(4-9)6-22-7-10-5-11(18-21-10)12(19)17-20/h1-5,20H,6-7H2,(H,17,19).
What are the key properties of N-hydroxy-5-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,2-oxazole-3-carboxamide?
N-hydroxy-5-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 332.30 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 11450381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).