N-[3-methyl-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide

C18H23N3O4S — CID 53133053

IUPACN-[3-methyl-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H23N3O4S/c1-12-7-8-15(17-13(2)20-25-18(17)19-14(3)22)11-16(12)26(23,24)21-9-5-4-6-10-21/h7-8,11H,4-6,9-10H2,1-3H3,(H,19,22)
InChIKeyXZNZBXKXGFYPJJ-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.09
Rot. Bonds4

About N-[3-methyl-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide

N-[3-methyl-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide (PubChem CID 53133053) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[3-methyl-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide
PubChem CID53133053
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-[3-methyl-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H23N3O4S/c1-12-7-8-15(17-13(2)20-25-18(17)19-14(3)22)11-16(12)26(23,24)21-9-5-4-6-10-21/h7-8,11H,4-6,9-10H2,1-3H3,(H,19,22)
InChIKeyXZNZBXKXGFYPJJ-UHFFFAOYSA-N
XLogP3.09
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53132971
N-[3-ethyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide
CID 53133346
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylmorpholine
CID 53054322
N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53132969
ethyl 1-[5-(5-acetamido-3-ethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]sulfonylpiperidine-4-carboxylate
CID 53133193
6-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridazin-3-one
CID 83278229
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 56694675
[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 20930695
N-[4-[4-methoxy-3-[(4-methylphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53133157
N-[4-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 95092633
N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)acetamide
CID 14174108
4-[3-(4-benzylpiperazin-1-yl)sulfonyl-4-methylphenyl]-3,5-dimethyl-1,2-oxazole
CID 118121112

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-[3-methyl-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide (CID 53133053) is N-[3-methyl-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-[3-methyl-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-[3-methyl-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide is CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-[3-methyl-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide?
The InChIKey is XZNZBXKXGFYPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-12-7-8-15(17-13(2)20-25-18(17)19-14(3)22)11-16(12)26(23,24)21-9-5-4-6-10-21/h7-8,11H,4-6,9-10H2,1-3H3,(H,19,22).
What are the key properties of N-[3-methyl-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide?
N-[3-methyl-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide has a molecular weight of 377.47 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 53133053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).