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

C17H28N2O6S — CID 56603084

IUPACN-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide
SMILESCOCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1
InChIInChI=1S/C17H28N2O6S/c1-16(2,11-23-5)13-10-14(25-19-13)18-15(20)17(3,4)26(21,22)12-6-8-24-9-7-12/h10,12H,6-9,11H2,1-5H3,(H,18,20)
InChIKeyWQXGAOCYFVAHJD-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.91
Rot. Bonds7

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

N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide (PubChem CID 56603084) has the molecular formula C17H28N2O6S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide.

Molecular Properties

Compound NameN-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide
PubChem CID56603084
Molecular FormulaC17H28N2O6S
Molecular Weight388.49 g/mol
Exact Mass388.17
IUPAC NameN-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide
SMILESCOCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1
InChIInChI=1S/C17H28N2O6S/c1-16(2,11-23-5)13-10-14(25-19-13)18-15(20)17(3,4)26(21,22)12-6-8-24-9-7-12/h10,12H,6-9,11H2,1-5H3,(H,18,20)
InChIKeyWQXGAOCYFVAHJD-UHFFFAOYSA-N
XLogP1.91
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide?
The IUPAC name of N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide (CID 56603084) is N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide.
What is the SMILES notation for N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide?
The canonical SMILES for N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide is COCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1.
What is the InChIKey of N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide?
The InChIKey is WQXGAOCYFVAHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O6S/c1-16(2,11-23-5)13-10-14(25-19-13)18-15(20)17(3,4)26(21,22)12-6-8-24-9-7-12/h10,12H,6-9,11H2,1-5H3,(H,18,20).
What are the key properties of N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide?
N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide has a molecular weight of 388.49 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide is sourced from PubChem (CID 56603084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).