5-[(2,6-dichlorophenoxy)methyl]-N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride

C18H22Cl3N3O3 — CID 119559624

IUPAC5-[(2,6-dichlorophenoxy)methyl]-N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1cc(COc2c(Cl)cccc2Cl)on1
InChIInChI=1S/C18H21Cl2N3O3.ClH/c19-14-4-1-5-15(20)17(14)25-11-13-9-16(23-26-13)18(24)22-8-6-12-3-2-7-21-10-12;/h1,4-5,9,12,21H,2-3,6-8,10-11H2,(H,22,24);1H
InChIKeyDNRHDJGUFKLZHS-UHFFFAOYSA-N
MW434.75 g/mol
LogP4.10
Rot. Bonds7

About 5-[(2,6-dichlorophenoxy)methyl]-N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride

5-[(2,6-dichlorophenoxy)methyl]-N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride (PubChem CID 119559624) has the molecular formula C18H22Cl3N3O3 and a molecular weight of 434.75 g/mol. Its IUPAC name is 5-[(2,6-dichlorophenoxy)methyl]-N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[(2,6-dichlorophenoxy)methyl]-N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride
PubChem CID119559624
Molecular FormulaC18H22Cl3N3O3
Molecular Weight434.75 g/mol
Exact Mass433.07
IUPAC Name5-[(2,6-dichlorophenoxy)methyl]-N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1cc(COc2c(Cl)cccc2Cl)on1
InChIInChI=1S/C18H21Cl2N3O3.ClH/c19-14-4-1-5-15(20)17(14)25-11-13-9-16(23-26-13)18(24)22-8-6-12-3-2-7-21-10-12;/h1,4-5,9,12,21H,2-3,6-8,10-11H2,(H,22,24);1H
InChIKeyDNRHDJGUFKLZHS-UHFFFAOYSA-N
XLogP4.10
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.75
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(2,6-dichlorophenoxy)methyl]-N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride with MolForge

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Related Compounds

5-[(2,6-dichlorophenoxy)methyl]-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 119514912
2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 119556621
2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559044
7-chloro-3-methyl-N-(2-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119556193
N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 63627853
N-(3-aminobutyl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 119499822
5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 154892252
3-(3-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide
CID 119557122
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
5-chloro-N-(2-piperidin-3-ylethyl)quinoline-8-carboxamide
CID 119558118
3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119558710
5-[(2,6-dichlorophenoxy)methyl]-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
CID 119533285

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dichlorophenoxy)methyl]-N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride?
The IUPAC name of 5-[(2,6-dichlorophenoxy)methyl]-N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride (CID 119559624) is 5-[(2,6-dichlorophenoxy)methyl]-N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-[(2,6-dichlorophenoxy)methyl]-N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-[(2,6-dichlorophenoxy)methyl]-N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride is Cl.O=C(NCCC1CCCNC1)c1cc(COc2c(Cl)cccc2Cl)on1.
What is the InChIKey of 5-[(2,6-dichlorophenoxy)methyl]-N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride?
The InChIKey is DNRHDJGUFKLZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O3.ClH/c19-14-4-1-5-15(20)17(14)25-11-13-9-16(23-26-13)18(24)22-8-6-12-3-2-7-21-10-12;/h1,4-5,9,12,21H,2-3,6-8,10-11H2,(H,22,24);1H.
What are the key properties of 5-[(2,6-dichlorophenoxy)methyl]-N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride?
5-[(2,6-dichlorophenoxy)methyl]-N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride has a molecular weight of 434.75 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dichlorophenoxy)methyl]-N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119559624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).