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

C22H20Cl2N2O2 — CID 84557885

IUPAC(4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]methanone
SMILESO=C(c1coc(-c2ccc(Cl)c(Cl)c2)n1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H20Cl2N2O2/c23-18-7-6-17(13-19(18)24)21-25-20(14-28-21)22(27)26-10-8-16(9-11-26)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2
InChIKeyUBWIBFKNGCYDOC-UHFFFAOYSA-N
MW415.32 g/mol
LogP5.74
Rot. Bonds4

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

(4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]methanone (PubChem CID 84557885) has the molecular formula C22H20Cl2N2O2 and a molecular weight of 415.32 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]methanone
PubChem CID84557885
Molecular FormulaC22H20Cl2N2O2
Molecular Weight415.32 g/mol
Exact Mass414.09
IUPAC Name(4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]methanone
SMILESO=C(c1coc(-c2ccc(Cl)c(Cl)c2)n1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H20Cl2N2O2/c23-18-7-6-17(13-19(18)24)21-25-20(14-28-21)22(27)26-10-8-16(9-11-26)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2
InChIKeyUBWIBFKNGCYDOC-UHFFFAOYSA-N
XLogP5.74
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.32
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]piperidine-4-carboxylic acid
CID 84557942
(4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)quinolin-4-yl]methanone
CID 4626628
N-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide
CID 56765140
1-[4-[2-[(4-benzylpiperidin-1-yl)methyl]-1,3-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 46043550
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 119625411
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 119542389
(4-benzylpiperidin-1-yl)-[7-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 46074651
[2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 84553156
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 110685777
[4-(1-aminoethyl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride
CID 119520922
(4-benzylpiperidin-1-yl)-[5-(4-methylsulfonylphenyl)-1,2-oxazol-3-yl]methanone
CID 91949802

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]methanone (CID 84557885) is (4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]methanone is O=C(c1coc(-c2ccc(Cl)c(Cl)c2)n1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]methanone?
The InChIKey is UBWIBFKNGCYDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O2/c23-18-7-6-17(13-19(18)24)21-25-20(14-28-21)22(27)26-10-8-16(9-11-26)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2.
What are the key properties of (4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]methanone?
(4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]methanone has a molecular weight of 415.32 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 84557885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).