N-(1-benzylpiperidin-3-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide

C24H25Cl2N3O2 — CID 55645096

IUPACN-(1-benzylpiperidin-3-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C24H25Cl2N3O2/c25-18-8-9-20(21(26)13-18)22-14-27-24(31-22)11-10-23(30)28-19-7-4-12-29(16-19)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,13-14,19H,4,7,10-12,15-16H2,(H,28,30)
InChIKeyWEZVDVXYGZTUPC-UHFFFAOYSA-N
MW458.39 g/mol
LogP5.36
Rot. Bonds7

About N-(1-benzylpiperidin-3-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide

N-(1-benzylpiperidin-3-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 55645096) has the molecular formula C24H25Cl2N3O2 and a molecular weight of 458.39 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID55645096
Molecular FormulaC24H25Cl2N3O2
Molecular Weight458.39 g/mol
Exact Mass457.13
IUPAC NameN-(1-benzylpiperidin-3-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C24H25Cl2N3O2/c25-18-8-9-20(21(26)13-18)22-14-27-24(31-22)11-10-23(30)28-19-7-4-12-29(16-19)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,13-14,19H,4,7,10-12,15-16H2,(H,28,30)
InChIKeyWEZVDVXYGZTUPC-UHFFFAOYSA-N
XLogP5.36
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.39
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-benzylpyrrolidin-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
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N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119489324
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2-oxoazepan-3-yl)propanamide
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3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide
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N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
N-(1-benzyl-2-pyridinylidene)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
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N-[(4-chlorophenyl)methyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590238
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103637
N-(1-benzylpiperidin-3-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 86945147
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide (CID 55645096) is N-(1-benzylpiperidin-3-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide is O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is WEZVDVXYGZTUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N3O2/c25-18-8-9-20(21(26)13-18)22-14-27-24(31-22)11-10-23(30)28-19-7-4-12-29(16-19)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,13-14,19H,4,7,10-12,15-16H2,(H,28,30).
What are the key properties of N-(1-benzylpiperidin-3-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide?
N-(1-benzylpiperidin-3-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 458.39 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 55645096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).