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

C18H22ClF2N3O3 — CID 154892252

IUPAC5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCN(CC1CCCNC1)C(=O)c1cc(COc2c(F)cccc2F)on1.Cl
InChIInChI=1S/C18H21F2N3O3.ClH/c1-23(10-12-4-3-7-21-9-12)18(24)16-8-13(26-22-16)11-25-17-14(19)5-2-6-15(17)20;/h2,5-6,8,12,21H,3-4,7,9-11H2,1H3;1H
InChIKeyLOHJQDVNYOHEKH-UHFFFAOYSA-N
MW401.84 g/mol
LogP3.03
Rot. Bonds6

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

5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride (PubChem CID 154892252) has the molecular formula C18H22ClF2N3O3 and a molecular weight of 401.84 g/mol. Its IUPAC name is 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride
PubChem CID154892252
Molecular FormulaC18H22ClF2N3O3
Molecular Weight401.84 g/mol
Exact Mass401.13
IUPAC Name5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCN(CC1CCCNC1)C(=O)c1cc(COc2c(F)cccc2F)on1.Cl
InChIInChI=1S/C18H21F2N3O3.ClH/c1-23(10-12-4-3-7-21-9-12)18(24)16-8-13(26-22-16)11-25-17-14(19)5-2-6-15(17)20;/h2,5-6,8,12,21H,3-4,7,9-11H2,1H3;1H
InChIKeyLOHJQDVNYOHEKH-UHFFFAOYSA-N
XLogP3.03
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.84
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-[(2,6-dichlorophenoxy)methyl]-N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119559624
2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627953
N,3-dimethyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide
CID 106627878
N-cyclopropyl-5-(methoxymethyl)-N-(piperidin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106628709
2-fluoro-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627734
5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56759947
2-fluoro-N,5-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628063
N-methyl-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 71642081
N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrazine-2-carboxamide
CID 97164409
N-methyl-N-(piperidin-3-ylmethyl)pyrazine-2-carboxamide
CID 71642090
N-(3-cyclopentylpropyl)-5-[(2,6-dimethylphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 42348608
4-chloro-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107990969

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride?
The IUPAC name of 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride (CID 154892252) is 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride is CN(CC1CCCNC1)C(=O)c1cc(COc2c(F)cccc2F)on1.Cl.
What is the InChIKey of 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride?
The InChIKey is LOHJQDVNYOHEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O3.ClH/c1-23(10-12-4-3-7-21-9-12)18(24)16-8-13(26-22-16)11-25-17-14(19)5-2-6-15(17)20;/h2,5-6,8,12,21H,3-4,7,9-11H2,1H3;1H.
What are the key properties of 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride?
5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride has a molecular weight of 401.84 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 154892252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).