[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

C23H34F6N2O8S2 — CID 59253223

IUPAC[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
SMILESCC(C)(COC(=O)C(C)(C)S(=O)(=O)CCCC(F)(F)F)c1cc(NC(=O)C(C)(C)S(=O)(=O)CCCC(F)(F)F)on1
InChIInChI=1S/C23H34F6N2O8S2/c1-19(2,14-38-18(33)21(5,6)41(36,37)12-8-10-23(27,28)29)15-13-16(39-31-15)30-17(32)20(3,4)40(34,35)11-7-9-22(24,25)26/h13H,7-12,14H2,1-6H3,(H,30,32)
InChIKeyQQTSORSBBCMXDD-UHFFFAOYSA-N
MW644.65 g/mol
LogP4.51
Rot. Bonds14

About [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

[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 (PubChem CID 59253223) has the molecular formula C23H34F6N2O8S2 and a molecular weight of 644.65 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID59253223
Molecular FormulaC23H34F6N2O8S2
Molecular Weight644.65 g/mol
Exact Mass644.17
IUPAC Name[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
SMILESCC(C)(COC(=O)C(C)(C)S(=O)(=O)CCCC(F)(F)F)c1cc(NC(=O)C(C)(C)S(=O)(=O)CCCC(F)(F)F)on1
InChIInChI=1S/C23H34F6N2O8S2/c1-19(2,14-38-18(33)21(5,6)41(36,37)12-8-10-23(27,28)29)15-13-16(39-31-15)30-17(32)20(3,4)40(34,35)11-7-9-22(24,25)26/h13H,7-12,14H2,1-6H3,(H,30,32)
InChIKeyQQTSORSBBCMXDD-UHFFFAOYSA-N
XLogP4.51
TPSA149.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500644.65
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [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 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

N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
CID 45110253
7,7,7-trifluoro-N-[3-[2-(2-methoxyethoxy)propan-2-yl]-1,2-oxazol-5-yl]-2,2-dimethylheptanamide
CID 58297243
2-(azetidin-1-ylsulfonyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide
CID 54771952
1-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-3-methyl-3-(4,4,4-trifluorobutylsulfonyl)butan-2-one
CID 58042586
1-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propyl]hydrazine
CID 118486682
3-methyl-1-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-3-(4,4,4-trifluorobutylsulfonyl)butan-2-one
CID 58042569
N-[3-[1-(1-ethoxypropoxy)-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-(3,3,3-trifluoropropylsulfanyl)propanamide
CID 143964888
2-[5-[[2-(4,4-difluoropentylsulfonyl)-2-methylpropyl]amino]-1,2-oxazol-3-yl]-2-methylpropan-1-ol
CID 123290411
N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide
CID 155823225
N-[3-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-[(4-methoxycyclohexyl)methylsulfonyl]-2-methylpropanamide
CID 59268006
N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide
CID 45256132
2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylmethylsulfonyl)propanamide
CID 59253303

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)(COC(=O)C(C)(C)S(=O)(=O)CCCC(F)(F)F)c1cc(NC(=O)C(C)(C)S(=O)(=O)CCCC(F)(F)F)on1.
What is the InChIKey of [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?
The InChIKey is QQTSORSBBCMXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34F6N2O8S2/c1-19(2,14-38-18(33)21(5,6)41(36,37)12-8-10-23(27,28)29)15-13-16(39-31-15)30-17(32)20(3,4)40(34,35)11-7-9-22(24,25)26/h13H,7-12,14H2,1-6H3,(H,30,32).
What are the key properties of [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?
[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 has a molecular weight of 644.65 g/mol, XLogP of 4.51, 14 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 59253223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).