2-[5-[[2-(4,4-difluoropentylsulfonyl)-2-methylpropyl]amino]-1,2-oxazol-3-yl]-2-methylpropan-1-ol

C16H28F2N2O4S — CID 123290411

IUPAC2-[5-[[2-(4,4-difluoropentylsulfonyl)-2-methylpropyl]amino]-1,2-oxazol-3-yl]-2-methylpropan-1-ol
SMILESCC(F)(F)CCCS(=O)(=O)C(C)(C)CNc1cc(C(C)(C)CO)no1
InChIInChI=1S/C16H28F2N2O4S/c1-14(2,11-21)12-9-13(24-20-12)19-10-15(3,4)25(22,23)8-6-7-16(5,17)18/h9,19,21H,6-8,10-11H2,1-5H3
InChIKeySNWOYWCUCVOKQQ-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.99
Rot. Bonds10

About 2-[5-[[2-(4,4-difluoropentylsulfonyl)-2-methylpropyl]amino]-1,2-oxazol-3-yl]-2-methylpropan-1-ol

2-[5-[[2-(4,4-difluoropentylsulfonyl)-2-methylpropyl]amino]-1,2-oxazol-3-yl]-2-methylpropan-1-ol (PubChem CID 123290411) has the molecular formula C16H28F2N2O4S and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-[5-[[2-(4,4-difluoropentylsulfonyl)-2-methylpropyl]amino]-1,2-oxazol-3-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[5-[[2-(4,4-difluoropentylsulfonyl)-2-methylpropyl]amino]-1,2-oxazol-3-yl]-2-methylpropan-1-ol
PubChem CID123290411
Molecular FormulaC16H28F2N2O4S
Molecular Weight382.47 g/mol
Exact Mass382.17
IUPAC Name2-[5-[[2-(4,4-difluoropentylsulfonyl)-2-methylpropyl]amino]-1,2-oxazol-3-yl]-2-methylpropan-1-ol
SMILESCC(F)(F)CCCS(=O)(=O)C(C)(C)CNc1cc(C(C)(C)CO)no1
InChIInChI=1S/C16H28F2N2O4S/c1-14(2,11-21)12-9-13(24-20-12)19-10-15(3,4)25(22,23)8-6-7-16(5,17)18/h9,19,21H,6-8,10-11H2,1-5H3
InChIKeySNWOYWCUCVOKQQ-UHFFFAOYSA-N
XLogP2.99
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propyl]hydrazine
CID 118486682
[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
N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
CID 45110253
N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide
CID 45256132
N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(piperidin-4-ylamino)propanamide
CID 91421480
ethane;N-[3-(2-fluoropropan-2-yl)-1,2-oxazol-5-yl]propanamide
CID 170582956
N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide
CID 155823225
N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 67953791
2-(azetidin-1-ylsulfanyl)-2-methylpropanal;2-methyl-2-[5-(methylamino)-1,2-oxazol-3-yl]propan-1-ol
CID 143964846
2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide
CID 70820826
N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]acetamide
CID 89393055
3-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]butanamide
CID 176873409

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-(4,4-difluoropentylsulfonyl)-2-methylpropyl]amino]-1,2-oxazol-3-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-[5-[[2-(4,4-difluoropentylsulfonyl)-2-methylpropyl]amino]-1,2-oxazol-3-yl]-2-methylpropan-1-ol (CID 123290411) is 2-[5-[[2-(4,4-difluoropentylsulfonyl)-2-methylpropyl]amino]-1,2-oxazol-3-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[5-[[2-(4,4-difluoropentylsulfonyl)-2-methylpropyl]amino]-1,2-oxazol-3-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[5-[[2-(4,4-difluoropentylsulfonyl)-2-methylpropyl]amino]-1,2-oxazol-3-yl]-2-methylpropan-1-ol is CC(F)(F)CCCS(=O)(=O)C(C)(C)CNc1cc(C(C)(C)CO)no1.
What is the InChIKey of 2-[5-[[2-(4,4-difluoropentylsulfonyl)-2-methylpropyl]amino]-1,2-oxazol-3-yl]-2-methylpropan-1-ol?
The InChIKey is SNWOYWCUCVOKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2N2O4S/c1-14(2,11-21)12-9-13(24-20-12)19-10-15(3,4)25(22,23)8-6-7-16(5,17)18/h9,19,21H,6-8,10-11H2,1-5H3.
What are the key properties of 2-[5-[[2-(4,4-difluoropentylsulfonyl)-2-methylpropyl]amino]-1,2-oxazol-3-yl]-2-methylpropan-1-ol?
2-[5-[[2-(4,4-difluoropentylsulfonyl)-2-methylpropyl]amino]-1,2-oxazol-3-yl]-2-methylpropan-1-ol has a molecular weight of 382.47 g/mol, XLogP of 2.99, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-(4,4-difluoropentylsulfonyl)-2-methylpropyl]amino]-1,2-oxazol-3-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 123290411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).