N-[2-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C19H24N4O5S — CID 56572319

IUPACN-[2-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCS(=O)(=O)CCN1CCN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C19H24N4O5S/c1-29(26,27)12-11-22-7-9-23(10-8-22)18(24)14-20-19(25)16-13-17(28-21-16)15-5-3-2-4-6-15/h2-6,13H,7-12,14H2,1H3,(H,20,25)
InChIKeyYIUJAFOLFFKTRZ-UHFFFAOYSA-N
MW420.49 g/mol
LogP0.26
Rot. Bonds7

About N-[2-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 56572319) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[2-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID56572319
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC NameN-[2-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCS(=O)(=O)CCN1CCN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C19H24N4O5S/c1-29(26,27)12-11-22-7-9-23(10-8-22)18(24)14-20-19(25)16-13-17(28-21-16)15-5-3-2-4-6-15/h2-6,13H,7-12,14H2,1H3,(H,20,25)
InChIKeyYIUJAFOLFFKTRZ-UHFFFAOYSA-N
XLogP0.26
TPSA112.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-cyclohexyloxypiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 86876644
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 120805537
N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 120815735
N-[2-[(2R,6R)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 99790807
N-[2-[4-[(2-cyclopentylacetyl)amino]piperidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 86902989
N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51103232
N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328
N-[2-[[(2S)-2-(dimethylamino)propyl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95383413
N-[1-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 56572676
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 70740173
N-[2-oxo-2-(pyrazolidin-4-ylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 75617038
5-(4-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2-oxazole-3-carboxamide
CID 121255629

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 56572319) is N-[2-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide is CS(=O)(=O)CCN1CCN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)CC1.
What is the InChIKey of N-[2-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is YIUJAFOLFFKTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-29(26,27)12-11-22-7-9-23(10-8-22)18(24)14-20-19(25)16-13-17(28-21-16)15-5-3-2-4-6-15/h2-6,13H,7-12,14H2,1H3,(H,20,25).
What are the key properties of N-[2-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56572319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).