3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride

C18H23Cl4N3O2 — CID 119442139

IUPAC3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride
SMILESCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C18H21Cl2N3O2.2ClH/c1-23(13-6-8-21-9-7-13)18(24)5-4-17-22-11-16(25-17)14-3-2-12(19)10-15(14)20;;/h2-3,10-11,13,21H,4-9H2,1H3;2*1H
InChIKeyRRXNFLQUERBDIY-UHFFFAOYSA-N
MW455.21 g/mol
LogP4.64
Rot. Bonds5

About 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride (PubChem CID 119442139) has the molecular formula C18H23Cl4N3O2 and a molecular weight of 455.21 g/mol. Its IUPAC name is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride
PubChem CID119442139
Molecular FormulaC18H23Cl4N3O2
Molecular Weight455.21 g/mol
Exact Mass453.05
IUPAC Name3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride
SMILESCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C18H21Cl2N3O2.2ClH/c1-23(13-6-8-21-9-7-13)18(24)5-4-17-22-11-16(25-17)14-3-2-12(19)10-15(14)20;;/h2-3,10-11,13,21H,4-9H2,1H3;2*1H
InChIKeyRRXNFLQUERBDIY-UHFFFAOYSA-N
XLogP4.64
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.21
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119550447
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119551955
2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]acetic acid
CID 119136390
3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide
CID 119442297
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpropanehydrazide
CID 55494607
1-(1,4-diazepan-1-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
CID 119415447
N-benzyl-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 29413645
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119551279
2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]propanoic acid
CID 119208683
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 126773837
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103637
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119489324

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride?
The IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride (CID 119442139) is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride.
What is the SMILES notation for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride?
The canonical SMILES for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride is CN(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C1CCNCC1.Cl.Cl.
What is the InChIKey of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride?
The InChIKey is RRXNFLQUERBDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O2.2ClH/c1-23(13-6-8-21-9-7-13)18(24)5-4-17-22-11-16(25-17)14-3-2-12(19)10-15(14)20;;/h2-3,10-11,13,21H,4-9H2,1H3;2*1H.
What are the key properties of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride?
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride has a molecular weight of 455.21 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride is sourced from PubChem (CID 119442139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).