N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propane-1-sulfonamide

C19H20F4N4O4S — CID 53311738

IUPACN-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propane-1-sulfonamide
SMILESCC(C)(CNS(=O)(=O)CCCc1noc(C(F)(F)F)n1)c1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H20F4N4O4S/c1-18(2,14-10-30-16(25-14)12-5-7-13(20)8-6-12)11-24-32(28,29)9-3-4-15-26-17(31-27-15)19(21,22)23/h5-8,10,24H,3-4,9,11H2,1-2H3
InChIKeyVXOKJMHTWATSGE-UHFFFAOYSA-N
MW476.45 g/mol
LogP3.71
Rot. Bonds9

About N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propane-1-sulfonamide

N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propane-1-sulfonamide (PubChem CID 53311738) has the molecular formula C19H20F4N4O4S and a molecular weight of 476.45 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propane-1-sulfonamide
PubChem CID53311738
Molecular FormulaC19H20F4N4O4S
Molecular Weight476.45 g/mol
Exact Mass476.11
IUPAC NameN-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propane-1-sulfonamide
SMILESCC(C)(CNS(=O)(=O)CCCc1noc(C(F)(F)F)n1)c1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H20F4N4O4S/c1-18(2,14-10-30-16(25-14)12-5-7-13(20)8-6-12)11-24-32(28,29)9-3-4-15-26-17(31-27-15)19(21,22)23/h5-8,10,24H,3-4,9,11H2,1-2H3
InChIKeyVXOKJMHTWATSGE-UHFFFAOYSA-N
XLogP3.71
TPSA111.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propane-1-sulfonamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propane-1-sulfonamide (CID 53311738) is N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propane-1-sulfonamide is CC(C)(CNS(=O)(=O)CCCc1noc(C(F)(F)F)n1)c1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propane-1-sulfonamide?
The InChIKey is VXOKJMHTWATSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N4O4S/c1-18(2,14-10-30-16(25-14)12-5-7-13(20)8-6-12)11-24-32(28,29)9-3-4-15-26-17(31-27-15)19(21,22)23/h5-8,10,24H,3-4,9,11H2,1-2H3.
What are the key properties of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propane-1-sulfonamide?
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propane-1-sulfonamide has a molecular weight of 476.45 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propane-1-sulfonamide is sourced from PubChem (CID 53311738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).