N-[[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide

C18H23N3O4S — CID 71684875

IUPACN-[[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)N1CCCC(CNS(C)(=O)=O)C1
InChIInChI=1S/C18H23N3O4S/c1-13-16(20-17(25-13)15-8-4-3-5-9-15)18(22)21-10-6-7-14(12-21)11-19-26(2,23)24/h3-5,8-9,14,19H,6-7,10-12H2,1-2H3
InChIKeyUVMVECWFOMHGOB-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.05
Rot. Bonds5

About N-[[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide

N-[[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 71684875) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID71684875
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-[[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)N1CCCC(CNS(C)(=O)=O)C1
InChIInChI=1S/C18H23N3O4S/c1-13-16(20-17(25-13)15-8-4-3-5-9-15)18(22)21-10-6-7-14(12-21)11-19-26(2,23)24/h3-5,8-9,14,19H,6-7,10-12H2,1-2H3
InChIKeyUVMVECWFOMHGOB-UHFFFAOYSA-N
XLogP2.05
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methanesulfonamide
CID 55478344
[3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone
CID 119399002
N-[[1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 47044268
[3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride
CID 119399001
N-[[1-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 55666010
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 95590099
N-[[(3S)-1-(2-bromobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 51889560
(5-methyl-2-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9112756
N-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47180844
(2S)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365014
N-[[1-(2-phenoxybenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47029623
N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 60963148

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide (CID 71684875) is N-[[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide is Cc1oc(-c2ccccc2)nc1C(=O)N1CCCC(CNS(C)(=O)=O)C1.
What is the InChIKey of N-[[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is UVMVECWFOMHGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-13-16(20-17(25-13)15-8-4-3-5-9-15)18(22)21-10-6-7-14(12-21)11-19-26(2,23)24/h3-5,8-9,14,19H,6-7,10-12H2,1-2H3.
What are the key properties of N-[[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 377.47 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 71684875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).