N-[[1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide

C23H25N3O4S — CID 47044268

IUPACN-[[1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)C1
InChIInChI=1S/C23H25N3O4S/c1-31(28,29)25-14-17-8-7-13-26(16-17)23(27)20-12-6-5-11-19(20)22-24-15-21(30-22)18-9-3-2-4-10-18/h2-6,9-12,15,17,25H,7-8,13-14,16H2,1H3
InChIKeyGYUOAVKGZYLABV-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.41
Rot. Bonds6

About N-[[1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide

N-[[1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 47044268) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[[1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID47044268
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-[[1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)C1
InChIInChI=1S/C23H25N3O4S/c1-31(28,29)25-14-17-8-7-13-26(16-17)23(27)20-12-6-5-11-19(20)22-24-15-21(30-22)18-9-3-2-4-10-18/h2-6,9-12,15,17,25H,7-8,13-14,16H2,1H3
InChIKeyGYUOAVKGZYLABV-UHFFFAOYSA-N
XLogP3.41
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethylpiperidin-1-yl)-[2-(5-phenyl-1,3-oxazol-2-yl)phenyl]methanone
CID 55654983
1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-3-carboxamide
CID 71901280
1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxylic acid
CID 119166332
N-[[(3S)-1-(2-bromobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 51889560
N-[[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 71684875
N-[[1-(2-phenoxybenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47029623
N-[[1-[2-(methoxymethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 51083128
N-[[1-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 55666010
N-pentyl-1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxamide
CID 55718193
N-[[1-(2-bromofuran-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 106853554
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
ethyl (3S)-1-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]piperidine-3-carboxylate
CID 36768257

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide (CID 47044268) is N-[[1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)C1.
What is the InChIKey of N-[[1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is GYUOAVKGZYLABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-31(28,29)25-14-17-8-7-13-26(16-17)23(27)20-12-6-5-11-19(20)22-24-15-21(30-22)18-9-3-2-4-10-18/h2-6,9-12,15,17,25H,7-8,13-14,16H2,1H3.
What are the key properties of N-[[1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 439.54 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 47044268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).