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

C14H14F3N3O5S — CID 123959836

IUPACN-hydroxy-4-methyl-2-[1-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C(C)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)oc1C(=O)NO
InChIInChI=1S/C14H14F3N3O5S/c1-7-11(12(21)19-22)25-13(18-7)8(2)20-26(23,24)10-5-3-9(4-6-10)14(15,16)17/h3-6,8,20,22H,1-2H3,(H,19,21)
InChIKeyQOEYFXSKZOFGIY-UHFFFAOYSA-N
MW393.34 g/mol
LogP2.16
Rot. Bonds5

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

N-hydroxy-4-methyl-2-[1-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-1,3-oxazole-5-carboxamide (PubChem CID 123959836) has the molecular formula C14H14F3N3O5S and a molecular weight of 393.34 g/mol. Its IUPAC name is N-hydroxy-4-methyl-2-[1-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-methyl-2-[1-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-1,3-oxazole-5-carboxamide
PubChem CID123959836
Molecular FormulaC14H14F3N3O5S
Molecular Weight393.34 g/mol
Exact Mass393.06
IUPAC NameN-hydroxy-4-methyl-2-[1-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C(C)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)oc1C(=O)NO
InChIInChI=1S/C14H14F3N3O5S/c1-7-11(12(21)19-22)25-13(18-7)8(2)20-26(23,24)10-5-3-9(4-6-10)14(15,16)17/h3-6,8,20,22H,1-2H3,(H,19,21)
InChIKeyQOEYFXSKZOFGIY-UHFFFAOYSA-N
XLogP2.16
TPSA121.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-4-methyl-2-[1-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-hydroxy-4-methyl-2-[1-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-1,3-oxazole-5-carboxamide (CID 123959836) is N-hydroxy-4-methyl-2-[1-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-4-methyl-2-[1-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-hydroxy-4-methyl-2-[1-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-1,3-oxazole-5-carboxamide is Cc1nc(C(C)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)oc1C(=O)NO.
What is the InChIKey of N-hydroxy-4-methyl-2-[1-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-1,3-oxazole-5-carboxamide?
The InChIKey is QOEYFXSKZOFGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O5S/c1-7-11(12(21)19-22)25-13(18-7)8(2)20-26(23,24)10-5-3-9(4-6-10)14(15,16)17/h3-6,8,20,22H,1-2H3,(H,19,21).
What are the key properties of N-hydroxy-4-methyl-2-[1-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-1,3-oxazole-5-carboxamide?
N-hydroxy-4-methyl-2-[1-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-1,3-oxazole-5-carboxamide has a molecular weight of 393.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-methyl-2-[1-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 123959836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).