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

C17H25N3O5S — CID 86297382

IUPACN-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide
SMILESCC(C)(C#N)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)on1
InChIInChI=1S/C17H25N3O5S/c1-16(2,11-18)13-9-14(25-20-13)19-15(21)17(3,4)26(22,23)10-12-5-7-24-8-6-12/h9,12H,5-8,10H2,1-4H3,(H,19,21)
InChIKeyLSCYVILYZPQUGR-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.03
Rot. Bonds6

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

N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide (PubChem CID 86297382) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide.

Molecular Properties

Compound NameN-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide
PubChem CID86297382
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC NameN-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide
SMILESCC(C)(C#N)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)on1
InChIInChI=1S/C17H25N3O5S/c1-16(2,11-18)13-9-14(25-20-13)19-15(21)17(3,4)26(22,23)10-12-5-7-24-8-6-12/h9,12H,5-8,10H2,1-4H3,(H,19,21)
InChIKeyLSCYVILYZPQUGR-UHFFFAOYSA-N
XLogP2.03
TPSA122.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.03
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-ylmethylsulfonyl)propanamide?
The IUPAC name of N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide (CID 86297382) is N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide.
What is the SMILES notation for N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide?
The canonical SMILES for N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide is CC(C)(C#N)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)on1.
What is the InChIKey of N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide?
The InChIKey is LSCYVILYZPQUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-16(2,11-18)13-9-14(25-20-13)19-15(21)17(3,4)26(22,23)10-12-5-7-24-8-6-12/h9,12H,5-8,10H2,1-4H3,(H,19,21).
What are the key properties of N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide?
N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide has a molecular weight of 383.47 g/mol, XLogP of 2.03, 6 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-ylmethylsulfonyl)propanamide is sourced from PubChem (CID 86297382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).