5-benzyl-3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione

C20H25N5O5S — CID 45355223

IUPAC5-benzyl-3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(CN2C(=O)NC(Cc3ccccc3)C2=O)CC1
InChIInChI=1S/C20H25N5O5S/c1-14-18(15(2)30-22-14)31(28,29)24-10-8-23(9-11-24)13-25-19(26)17(21-20(25)27)12-16-6-4-3-5-7-16/h3-7,17H,8-13H2,1-2H3,(H,21,27)
InChIKeyXXOVLGAKAIEJGB-UHFFFAOYSA-N
MW447.52 g/mol
LogP0.72
Rot. Bonds6

About 5-benzyl-3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione

5-benzyl-3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione (PubChem CID 45355223) has the molecular formula C20H25N5O5S and a molecular weight of 447.52 g/mol. Its IUPAC name is 5-benzyl-3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
PubChem CID45355223
Molecular FormulaC20H25N5O5S
Molecular Weight447.52 g/mol
Exact Mass447.16
IUPAC Name5-benzyl-3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(CN2C(=O)NC(Cc3ccccc3)C2=O)CC1
InChIInChI=1S/C20H25N5O5S/c1-14-18(15(2)30-22-14)31(28,29)24-10-8-23(9-11-24)13-25-19(26)17(21-20(25)27)12-16-6-4-3-5-7-16/h3-7,17H,8-13H2,1-2H3,(H,21,27)
InChIKeyXXOVLGAKAIEJGB-UHFFFAOYSA-N
XLogP0.72
TPSA116.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-benzyl-3-(morpholin-4-ylmethyl)imidazolidine-2,4-dione
CID 31263332
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 26545041
4-benzyl-5-cyclopropyl-2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methyl]-1,2,4-triazole-3-thione
CID 27394162
4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 90589443
4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 7016183
3,5-dimethyl-4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 75461225
3,5-dimethyl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 17060357
3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propan-1-ol
CID 47120907
3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 42911216
4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 3828999
4-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 17479583
N-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 15992054

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-benzyl-3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione (CID 45355223) is 5-benzyl-3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-benzyl-3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-benzyl-3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione is Cc1noc(C)c1S(=O)(=O)N1CCN(CN2C(=O)NC(Cc3ccccc3)C2=O)CC1.
What is the InChIKey of 5-benzyl-3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is XXOVLGAKAIEJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O5S/c1-14-18(15(2)30-22-14)31(28,29)24-10-8-23(9-11-24)13-25-19(26)17(21-20(25)27)12-16-6-4-3-5-7-16/h3-7,17H,8-13H2,1-2H3,(H,21,27).
What are the key properties of 5-benzyl-3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione?
5-benzyl-3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 447.52 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 45355223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).