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

C15H24N2O6S — CID 56602550

IUPACN-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide
SMILESCC(C)(O)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1
InChIInChI=1S/C15H24N2O6S/c1-14(2,19)11-9-12(23-17-11)16-13(18)15(3,4)24(20,21)10-5-7-22-8-6-10/h9-10,19H,5-8H2,1-4H3,(H,16,18)
InChIKeyOUWXTXOZZOUIAP-UHFFFAOYSA-N
MW360.43 g/mol
LogP1.21
Rot. Bonds5

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

N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide (PubChem CID 56602550) has the molecular formula C15H24N2O6S and a molecular weight of 360.43 g/mol. Its IUPAC name is N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide.

Molecular Properties

Compound NameN-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide
PubChem CID56602550
Molecular FormulaC15H24N2O6S
Molecular Weight360.43 g/mol
Exact Mass360.14
IUPAC NameN-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide
SMILESCC(C)(O)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1
InChIInChI=1S/C15H24N2O6S/c1-14(2,19)11-9-12(23-17-11)16-13(18)15(3,4)24(20,21)10-5-7-22-8-6-10/h9-10,19H,5-8H2,1-4H3,(H,16,18)
InChIKeyOUWXTXOZZOUIAP-UHFFFAOYSA-N
XLogP1.21
TPSA118.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide?
The IUPAC name of N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide (CID 56602550) is N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide.
What is the SMILES notation for N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide?
The canonical SMILES for N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide is CC(C)(O)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1.
What is the InChIKey of N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide?
The InChIKey is OUWXTXOZZOUIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O6S/c1-14(2,19)11-9-12(23-17-11)16-13(18)15(3,4)24(20,21)10-5-7-22-8-6-10/h9-10,19H,5-8H2,1-4H3,(H,16,18).
What are the key properties of N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide?
N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide has a molecular weight of 360.43 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide is sourced from PubChem (CID 56602550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).