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

C17H28N2O6S — CID 45256132

IUPACN-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide
SMILESCC(C)(CO)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)on1
InChIInChI=1S/C17H28N2O6S/c1-16(2,11-20)13-9-14(25-19-13)18-15(21)17(3,4)26(22,23)10-12-5-7-24-8-6-12/h9,12,20H,5-8,10-11H2,1-4H3,(H,18,21)
InChIKeyBLBSAOGDKLRDIM-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.50
Rot. Bonds7

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

N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide (PubChem CID 45256132) has the molecular formula C17H28N2O6S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide.

Molecular Properties

Compound NameN-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide
PubChem CID45256132
Molecular FormulaC17H28N2O6S
Molecular Weight388.49 g/mol
Exact Mass388.17
IUPAC NameN-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide
SMILESCC(C)(CO)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)on1
InChIInChI=1S/C17H28N2O6S/c1-16(2,11-20)13-9-14(25-19-13)18-15(21)17(3,4)26(22,23)10-12-5-7-24-8-6-12/h9,12,20H,5-8,10-11H2,1-4H3,(H,18,21)
InChIKeyBLBSAOGDKLRDIM-UHFFFAOYSA-N
XLogP1.50
TPSA118.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide?
The IUPAC name of N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide (CID 45256132) is N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide.
What is the SMILES notation for N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide?
The canonical SMILES for N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide is CC(C)(CO)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)on1.
What is the InChIKey of N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide?
The InChIKey is BLBSAOGDKLRDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O6S/c1-16(2,11-20)13-9-14(25-19-13)18-15(21)17(3,4)26(22,23)10-12-5-7-24-8-6-12/h9,12,20H,5-8,10-11H2,1-4H3,(H,18,21).
What are the key properties of N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide?
N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide has a molecular weight of 388.49 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide is sourced from PubChem (CID 45256132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).