5-[3-[2-(3-methoxypropyl)piperidin-1-yl]sulfonyl-4-methylphenyl]-1,2-oxazole

C19H26N2O4S — CID 70734533

IUPAC5-[3-[2-(3-methoxypropyl)piperidin-1-yl]sulfonyl-4-methylphenyl]-1,2-oxazole
SMILESCOCCCC1CCCCN1S(=O)(=O)c1cc(-c2ccno2)ccc1C
InChIInChI=1S/C19H26N2O4S/c1-15-8-9-16(18-10-11-20-25-18)14-19(15)26(22,23)21-12-4-3-6-17(21)7-5-13-24-2/h8-11,14,17H,3-7,12-13H2,1-2H3
InChIKeyIKPUFKGFZHPFCV-UHFFFAOYSA-N
MW378.49 g/mol
LogP3.62
Rot. Bonds7

About 5-[3-[2-(3-methoxypropyl)piperidin-1-yl]sulfonyl-4-methylphenyl]-1,2-oxazole

5-[3-[2-(3-methoxypropyl)piperidin-1-yl]sulfonyl-4-methylphenyl]-1,2-oxazole (PubChem CID 70734533) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is 5-[3-[2-(3-methoxypropyl)piperidin-1-yl]sulfonyl-4-methylphenyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[3-[2-(3-methoxypropyl)piperidin-1-yl]sulfonyl-4-methylphenyl]-1,2-oxazole
PubChem CID70734533
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name5-[3-[2-(3-methoxypropyl)piperidin-1-yl]sulfonyl-4-methylphenyl]-1,2-oxazole
SMILESCOCCCC1CCCCN1S(=O)(=O)c1cc(-c2ccno2)ccc1C
InChIInChI=1S/C19H26N2O4S/c1-15-8-9-16(18-10-11-20-25-18)14-19(15)26(22,23)21-12-4-3-6-17(21)7-5-13-24-2/h8-11,14,17H,3-7,12-13H2,1-2H3
InChIKeyIKPUFKGFZHPFCV-UHFFFAOYSA-N
XLogP3.62
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[5-[2-(3-methoxypropyl)piperidin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole
CID 70729430
2-(2-chloroethyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine
CID 63397489
3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-amine
CID 63767384
N'-[[(2R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]-N-(3-methoxypropyl)oxamide
CID 7286481
2-(chloromethyl)-1-(5-fluoro-2-methylphenyl)sulfonylazepane
CID 116639765
3-[1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469187
(2R)-2-(3-methoxypropyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 164640382
2-methoxy-N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-2-yl]methyl]ethanamine
CID 104710716
N-cyclooctyl-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094869
3-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-2-yl]propanoic acid
CID 57436799
3-[4-methyl-3-(2-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyridazin-6-one
CID 23611824
(3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96575750

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(3-methoxypropyl)piperidin-1-yl]sulfonyl-4-methylphenyl]-1,2-oxazole?
The IUPAC name of 5-[3-[2-(3-methoxypropyl)piperidin-1-yl]sulfonyl-4-methylphenyl]-1,2-oxazole (CID 70734533) is 5-[3-[2-(3-methoxypropyl)piperidin-1-yl]sulfonyl-4-methylphenyl]-1,2-oxazole.
What is the SMILES notation for 5-[3-[2-(3-methoxypropyl)piperidin-1-yl]sulfonyl-4-methylphenyl]-1,2-oxazole?
The canonical SMILES for 5-[3-[2-(3-methoxypropyl)piperidin-1-yl]sulfonyl-4-methylphenyl]-1,2-oxazole is COCCCC1CCCCN1S(=O)(=O)c1cc(-c2ccno2)ccc1C.
What is the InChIKey of 5-[3-[2-(3-methoxypropyl)piperidin-1-yl]sulfonyl-4-methylphenyl]-1,2-oxazole?
The InChIKey is IKPUFKGFZHPFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-15-8-9-16(18-10-11-20-25-18)14-19(15)26(22,23)21-12-4-3-6-17(21)7-5-13-24-2/h8-11,14,17H,3-7,12-13H2,1-2H3.
What are the key properties of 5-[3-[2-(3-methoxypropyl)piperidin-1-yl]sulfonyl-4-methylphenyl]-1,2-oxazole?
5-[3-[2-(3-methoxypropyl)piperidin-1-yl]sulfonyl-4-methylphenyl]-1,2-oxazole has a molecular weight of 378.49 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(3-methoxypropyl)piperidin-1-yl]sulfonyl-4-methylphenyl]-1,2-oxazole is sourced from PubChem (CID 70734533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).