(4-benzylpiperidin-1-yl)-[5-(4-methylsulfonylphenyl)-1,2-oxazol-3-yl]methanone

C23H24N2O4S — CID 91949802

IUPAC(4-benzylpiperidin-1-yl)-[5-(4-methylsulfonylphenyl)-1,2-oxazol-3-yl]methanone
SMILESCS(=O)(=O)c1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)no2)cc1
InChIInChI=1S/C23H24N2O4S/c1-30(27,28)20-9-7-19(8-10-20)22-16-21(24-29-22)23(26)25-13-11-18(12-14-25)15-17-5-3-2-4-6-17/h2-10,16,18H,11-15H2,1H3
InChIKeyXLHAOSQPEUYMLU-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.84
Rot. Bonds5

About (4-benzylpiperidin-1-yl)-[5-(4-methylsulfonylphenyl)-1,2-oxazol-3-yl]methanone

(4-benzylpiperidin-1-yl)-[5-(4-methylsulfonylphenyl)-1,2-oxazol-3-yl]methanone (PubChem CID 91949802) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[5-(4-methylsulfonylphenyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[5-(4-methylsulfonylphenyl)-1,2-oxazol-3-yl]methanone
PubChem CID91949802
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name(4-benzylpiperidin-1-yl)-[5-(4-methylsulfonylphenyl)-1,2-oxazol-3-yl]methanone
SMILESCS(=O)(=O)c1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)no2)cc1
InChIInChI=1S/C23H24N2O4S/c1-30(27,28)20-9-7-19(8-10-20)22-16-21(24-29-22)23(26)25-13-11-18(12-14-25)15-17-5-3-2-4-6-17/h2-10,16,18H,11-15H2,1H3
InChIKeyXLHAOSQPEUYMLU-UHFFFAOYSA-N
XLogP3.84
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone
CID 155529193
(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 110685777
1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 1093757
(4-benzylpiperidin-1-yl)-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone
CID 59030460
(4-benzylsulfonylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 119105556
(4-benzylpiperazin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanone
CID 17252730
(4-benzylpiperidin-1-yl)-(4,5-dimethyl-1H-pyrazol-3-yl)methanone
CID 110855772
[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51264852
(4-benzylsulfonylpiperazin-1-yl)-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 112844842
(4-benzylpiperidin-1-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 55787641
4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 9414267
[4-(ethylaminomethyl)piperidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 119648082

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[5-(4-methylsulfonylphenyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[5-(4-methylsulfonylphenyl)-1,2-oxazol-3-yl]methanone (CID 91949802) is (4-benzylpiperidin-1-yl)-[5-(4-methylsulfonylphenyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[5-(4-methylsulfonylphenyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[5-(4-methylsulfonylphenyl)-1,2-oxazol-3-yl]methanone is CS(=O)(=O)c1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)no2)cc1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[5-(4-methylsulfonylphenyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is XLHAOSQPEUYMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-30(27,28)20-9-7-19(8-10-20)22-16-21(24-29-22)23(26)25-13-11-18(12-14-25)15-17-5-3-2-4-6-17/h2-10,16,18H,11-15H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[5-(4-methylsulfonylphenyl)-1,2-oxazol-3-yl]methanone?
(4-benzylpiperidin-1-yl)-[5-(4-methylsulfonylphenyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 424.52 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[5-(4-methylsulfonylphenyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 91949802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).