N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide

C15H23F3N2O5S — CID 56603147

IUPACN-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
SMILESCC(C)(CO)c1cc(NC(=O)C(C)(C)S(=O)(=O)CCCC(F)(F)F)no1
InChIInChI=1S/C15H23F3N2O5S/c1-13(2,9-21)10-8-11(20-25-10)19-12(22)14(3,4)26(23,24)7-5-6-15(16,17)18/h8,21H,5-7,9H2,1-4H3,(H,19,20,22)
InChIKeyDVFFLHLAICOLDY-UHFFFAOYSA-N
MW400.42 g/mol
LogP2.42
Rot. Bonds8

About N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide

N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide (PubChem CID 56603147) has the molecular formula C15H23F3N2O5S and a molecular weight of 400.42 g/mol. Its IUPAC name is N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide.

Molecular Properties

Compound NameN-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
PubChem CID56603147
Molecular FormulaC15H23F3N2O5S
Molecular Weight400.42 g/mol
Exact Mass400.13
IUPAC NameN-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
SMILESCC(C)(CO)c1cc(NC(=O)C(C)(C)S(=O)(=O)CCCC(F)(F)F)no1
InChIInChI=1S/C15H23F3N2O5S/c1-13(2,9-21)10-8-11(20-25-10)19-12(22)14(3,4)26(23,24)7-5-6-15(16,17)18/h8,21H,5-7,9H2,1-4H3,(H,19,20,22)
InChIKeyDVFFLHLAICOLDY-UHFFFAOYSA-N
XLogP2.42
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
The IUPAC name of N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide (CID 56603147) is N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide.
What is the SMILES notation for N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
The canonical SMILES for N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide is CC(C)(CO)c1cc(NC(=O)C(C)(C)S(=O)(=O)CCCC(F)(F)F)no1.
What is the InChIKey of N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
The InChIKey is DVFFLHLAICOLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O5S/c1-13(2,9-21)10-8-11(20-25-10)19-12(22)14(3,4)26(23,24)7-5-6-15(16,17)18/h8,21H,5-7,9H2,1-4H3,(H,19,20,22).
What are the key properties of N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide has a molecular weight of 400.42 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide is sourced from PubChem (CID 56603147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).