N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]sulfonylbenzamide

C20H23N5O4S — CID 122152574

IUPACN-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]sulfonylbenzamide
SMILESCc1noc(C)c1NC(=O)c1ccc(S(=O)(=O)N2CCC(c3ncc[nH]3)CC2)cc1
InChIInChI=1S/C20H23N5O4S/c1-13-18(14(2)29-24-13)23-20(26)16-3-5-17(6-4-16)30(27,28)25-11-7-15(8-12-25)19-21-9-10-22-19/h3-6,9-10,15H,7-8,11-12H2,1-2H3,(H,21,22)(H,23,26)
InChIKeyKWRIPHRXTFQSBZ-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.84
Rot. Bonds5

About N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]sulfonylbenzamide

N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]sulfonylbenzamide (PubChem CID 122152574) has the molecular formula C20H23N5O4S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]sulfonylbenzamide
PubChem CID122152574
Molecular FormulaC20H23N5O4S
Molecular Weight429.50 g/mol
Exact Mass429.15
IUPAC NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]sulfonylbenzamide
SMILESCc1noc(C)c1NC(=O)c1ccc(S(=O)(=O)N2CCC(c3ncc[nH]3)CC2)cc1
InChIInChI=1S/C20H23N5O4S/c1-13-18(14(2)29-24-13)23-20(26)16-3-5-17(6-4-16)30(27,28)25-11-7-15(8-12-25)19-21-9-10-22-19/h3-6,9-10,15H,7-8,11-12H2,1-2H3,(H,21,22)(H,23,26)
InChIKeyKWRIPHRXTFQSBZ-UHFFFAOYSA-N
XLogP2.84
TPSA121.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-tert-butylphenyl)sulfonyl-4-(1H-imidazol-2-yl)piperidine
CID 110725902
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
CID 2810659
3,5-dimethyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,2-oxazole-4-carbohydrazide
CID 9327405
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(1H-imidazol-2-yl)piperidine
CID 110725900
4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-2-pyridinyl)benzamide
CID 24982872
N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-4-fluorobenzamide
CID 16802929
4-morpholin-4-ylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 8894997
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2155671
4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 3689763
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 2051270
1-(4-acetylphenyl)sulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpiperidine-4-carboxamide
CID 55621390
N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(methoxymethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]sulfonylbenzamide (CID 122152574) is N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]sulfonylbenzamide is Cc1noc(C)c1NC(=O)c1ccc(S(=O)(=O)N2CCC(c3ncc[nH]3)CC2)cc1.
What is the InChIKey of N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]sulfonylbenzamide?
The InChIKey is KWRIPHRXTFQSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4S/c1-13-18(14(2)29-24-13)23-20(26)16-3-5-17(6-4-16)30(27,28)25-11-7-15(8-12-25)19-21-9-10-22-19/h3-6,9-10,15H,7-8,11-12H2,1-2H3,(H,21,22)(H,23,26).
What are the key properties of N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]sulfonylbenzamide?
N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]sulfonylbenzamide has a molecular weight of 429.50 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 122152574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).