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

C14H21F3N2O5S — CID 56602551

IUPACN-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
SMILESCC(C)(O)c1cc(NC(=O)C(C)(C)S(=O)(=O)CCCC(F)(F)F)on1
InChIInChI=1S/C14H21F3N2O5S/c1-12(2,21)9-8-10(24-19-9)18-11(20)13(3,4)25(22,23)7-5-6-14(15,16)17/h8,21H,5-7H2,1-4H3,(H,18,20)
InChIKeyZULZQJLDDYXPHK-UHFFFAOYSA-N
MW386.39 g/mol
LogP2.38
Rot. Bonds7

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

N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide (PubChem CID 56602551) has the molecular formula C14H21F3N2O5S and a molecular weight of 386.39 g/mol. Its IUPAC name is N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide.

Molecular Properties

Compound NameN-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
PubChem CID56602551
Molecular FormulaC14H21F3N2O5S
Molecular Weight386.39 g/mol
Exact Mass386.11
IUPAC NameN-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
SMILESCC(C)(O)c1cc(NC(=O)C(C)(C)S(=O)(=O)CCCC(F)(F)F)on1
InChIInChI=1S/C14H21F3N2O5S/c1-12(2,21)9-8-10(24-19-9)18-11(20)13(3,4)25(22,23)7-5-6-14(15,16)17/h8,21H,5-7H2,1-4H3,(H,18,20)
InChIKeyZULZQJLDDYXPHK-UHFFFAOYSA-N
XLogP2.38
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
The IUPAC name of N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide (CID 56602551) is N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide.
What is the SMILES notation for N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
The canonical SMILES for N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide is CC(C)(O)c1cc(NC(=O)C(C)(C)S(=O)(=O)CCCC(F)(F)F)on1.
What is the InChIKey of N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
The InChIKey is ZULZQJLDDYXPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O5S/c1-12(2,21)9-8-10(24-19-9)18-11(20)13(3,4)25(22,23)7-5-6-14(15,16)17/h8,21H,5-7H2,1-4H3,(H,18,20).
What are the key properties of N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide has a molecular weight of 386.39 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide is sourced from PubChem (CID 56602551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).