N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-1-methylimidazole-4-sulfonamide

C15H15F3N4O4S — CID 59652518

IUPACN-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCc2cccc(C3=NOC(O)(C(F)(F)F)C3)c2)c1
InChIInChI=1S/C15H15F3N4O4S/c1-22-8-13(19-9-22)27(24,25)20-7-10-3-2-4-11(5-10)12-6-14(23,26-21-12)15(16,17)18/h2-5,8-9,20,23H,6-7H2,1H3
InChIKeyPCDZNNKPIOTQOK-UHFFFAOYSA-N
MW404.37 g/mol
LogP1.27
Rot. Bonds5

About N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-1-methylimidazole-4-sulfonamide

N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-1-methylimidazole-4-sulfonamide (PubChem CID 59652518) has the molecular formula C15H15F3N4O4S and a molecular weight of 404.37 g/mol. Its IUPAC name is N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-1-methylimidazole-4-sulfonamide
PubChem CID59652518
Molecular FormulaC15H15F3N4O4S
Molecular Weight404.37 g/mol
Exact Mass404.08
IUPAC NameN-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCc2cccc(C3=NOC(O)(C(F)(F)F)C3)c2)c1
InChIInChI=1S/C15H15F3N4O4S/c1-22-8-13(19-9-22)27(24,25)20-7-10-3-2-4-11(5-10)12-6-14(23,26-21-12)15(16,17)18/h2-5,8-9,20,23H,6-7H2,1H3
InChIKeyPCDZNNKPIOTQOK-UHFFFAOYSA-N
XLogP1.27
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-1-methylimidazole-4-sulfonamide (CID 59652518) is N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCc2cccc(C3=NOC(O)(C(F)(F)F)C3)c2)c1.
What is the InChIKey of N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is PCDZNNKPIOTQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O4S/c1-22-8-13(19-9-22)27(24,25)20-7-10-3-2-4-11(5-10)12-6-14(23,26-21-12)15(16,17)18/h2-5,8-9,20,23H,6-7H2,1H3.
What are the key properties of N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-1-methylimidazole-4-sulfonamide?
N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 404.37 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 59652518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).