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

C16H23N3O5S — CID 86297383

IUPACN-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide
SMILESCC(C)(C#N)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1
InChIInChI=1S/C16H23N3O5S/c1-15(2,10-17)12-9-13(24-19-12)18-14(20)16(3,4)25(21,22)11-5-7-23-8-6-11/h9,11H,5-8H2,1-4H3,(H,18,20)
InChIKeyVNHXXDOHYHSQPD-UHFFFAOYSA-N
MW369.44 g/mol
LogP1.79
Rot. Bonds5

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

N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide (PubChem CID 86297383) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide.

Molecular Properties

Compound NameN-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide
PubChem CID86297383
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC NameN-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide
SMILESCC(C)(C#N)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1
InChIInChI=1S/C16H23N3O5S/c1-15(2,10-17)12-9-13(24-19-12)18-14(20)16(3,4)25(21,22)11-5-7-23-8-6-11/h9,11H,5-8H2,1-4H3,(H,18,20)
InChIKeyVNHXXDOHYHSQPD-UHFFFAOYSA-N
XLogP1.79
TPSA122.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide?
The IUPAC name of N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide (CID 86297383) is N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide.
What is the SMILES notation for N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide?
The canonical SMILES for N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide is CC(C)(C#N)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1.
What is the InChIKey of N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide?
The InChIKey is VNHXXDOHYHSQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-15(2,10-17)12-9-13(24-19-12)18-14(20)16(3,4)25(21,22)11-5-7-23-8-6-11/h9,11H,5-8H2,1-4H3,(H,18,20).
What are the key properties of N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide?
N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide has a molecular weight of 369.44 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide is sourced from PubChem (CID 86297383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).