N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxybutanamide

C20H26N6O5S — CID 24533977

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxybutanamide
SMILESCCC(On1nnc2ccc(S(=O)(=O)N3CCCC(C)C3)cc21)C(=O)Nc1cc(C)on1
InChIInChI=1S/C20H26N6O5S/c1-4-18(20(27)21-19-10-14(3)30-23-19)31-26-17-11-15(7-8-16(17)22-24-26)32(28,29)25-9-5-6-13(2)12-25/h7-8,10-11,13,18H,4-6,9,12H2,1-3H3,(H,21,23,27)
InChIKeyHRHGSJWFPCFXJX-UHFFFAOYSA-N
MW462.53 g/mol
LogP1.99
Rot. Bonds7

About N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxybutanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxybutanamide (PubChem CID 24533977) has the molecular formula C20H26N6O5S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxybutanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxybutanamide
PubChem CID24533977
Molecular FormulaC20H26N6O5S
Molecular Weight462.53 g/mol
Exact Mass462.17
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxybutanamide
SMILESCCC(On1nnc2ccc(S(=O)(=O)N3CCCC(C)C3)cc21)C(=O)Nc1cc(C)on1
InChIInChI=1S/C20H26N6O5S/c1-4-18(20(27)21-19-10-14(3)30-23-19)31-26-17-11-15(7-8-16(17)22-24-26)32(28,29)25-9-5-6-13(2)12-25/h7-8,10-11,13,18H,4-6,9,12H2,1-3H3,(H,21,23,27)
InChIKeyHRHGSJWFPCFXJX-UHFFFAOYSA-N
XLogP1.99
TPSA132.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-cyclopropyl-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide
CID 7714347
N,N-diethyl-2-[6-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide
CID 7714359
3-[[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 56578621
2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 18285374
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 26009404
2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 50767844
N-[(2R)-butan-2-yl]-2-[6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide
CID 7714319
4-[[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxymethyl]-2-thiophen-2-yl-1,3-oxazole
CID 42989198
2-[6-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-N-propan-2-ylacetamide
CID 7714314
N-(5-methyl-1,2-oxazol-3-yl)-3-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 46320678
N-butan-2-yl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109063050
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxybutanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxybutanamide (CID 24533977) is N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxybutanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxybutanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxybutanamide is CCC(On1nnc2ccc(S(=O)(=O)N3CCCC(C)C3)cc21)C(=O)Nc1cc(C)on1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxybutanamide?
The InChIKey is HRHGSJWFPCFXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O5S/c1-4-18(20(27)21-19-10-14(3)30-23-19)31-26-17-11-15(7-8-16(17)22-24-26)32(28,29)25-9-5-6-13(2)12-25/h7-8,10-11,13,18H,4-6,9,12H2,1-3H3,(H,21,23,27).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxybutanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxybutanamide has a molecular weight of 462.53 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxybutanamide is sourced from PubChem (CID 24533977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).