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

C16H25F3N2O5S — CID 45110253

IUPACN-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
SMILESCC(O)C(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CCCC(F)(F)F)on1
InChIInChI=1S/C16H25F3N2O5S/c1-10(22)14(2,3)11-9-12(26-21-11)20-13(23)15(4,5)27(24,25)8-6-7-16(17,18)19/h9-10,22H,6-8H2,1-5H3,(H,20,23)
InChIKeyOBONQWCTPMBCPB-UHFFFAOYSA-N
MW414.45 g/mol
LogP2.81
Rot. Bonds8

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

N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide (PubChem CID 45110253) has the molecular formula C16H25F3N2O5S and a molecular weight of 414.45 g/mol. Its IUPAC name is N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide.

Molecular Properties

Compound NameN-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
PubChem CID45110253
Molecular FormulaC16H25F3N2O5S
Molecular Weight414.45 g/mol
Exact Mass414.14
IUPAC NameN-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
SMILESCC(O)C(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CCCC(F)(F)F)on1
InChIInChI=1S/C16H25F3N2O5S/c1-10(22)14(2,3)11-9-12(26-21-11)20-13(23)15(4,5)27(24,25)8-6-7-16(17,18)19/h9-10,22H,6-8H2,1-5H3,(H,20,23)
InChIKeyOBONQWCTPMBCPB-UHFFFAOYSA-N
XLogP2.81
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-methyl-2-[5-[[2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanoyl]amino]-1,2-oxazol-3-yl]propyl] 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanoate
CID 59253223
2-butan-2-ylsulfanyl-N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide
CID 91117963
2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide
CID 143964863
1-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propyl]hydrazine
CID 118486682
7,7,7-trifluoro-N-[3-[2-(2-methoxyethoxy)propan-2-yl]-1,2-oxazol-5-yl]-2,2-dimethylheptanamide
CID 58297243
N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide
CID 155823225
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(cyclohexylmethylsulfonyl)-2-methylpropanamide
CID 59703974
2-[5-[[2-(4,4-difluoropentylsulfonyl)-2-methylpropyl]amino]-1,2-oxazol-3-yl]-2-methylpropan-1-ol
CID 123290411
N-(1,3-benzothiazol-2-yl)-2-methyl-2-propylsulfonylpropanamide;N-(3-tert-butyl-1,2-oxazol-5-yl)-2-methyl-2-propylsulfonylpropanamide
CID 160584228
ethane;N-[3-(2-fluoropropan-2-yl)-1,2-oxazol-5-yl]propanamide
CID 170582956
2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
CID 87112831
N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide
CID 45256132

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
The IUPAC name of N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide (CID 45110253) is N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide.
What is the SMILES notation for N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
The canonical SMILES for N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide is CC(O)C(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CCCC(F)(F)F)on1.
What is the InChIKey of N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
The InChIKey is OBONQWCTPMBCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N2O5S/c1-10(22)14(2,3)11-9-12(26-21-11)20-13(23)15(4,5)27(24,25)8-6-7-16(17,18)19/h9-10,22H,6-8H2,1-5H3,(H,20,23).
What are the key properties of N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide has a molecular weight of 414.45 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide is sourced from PubChem (CID 45110253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).