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

C18H21F2N3O3 — CID 24794141

IUPAC5-[(2,6-difluorophenoxy)methyl]-N-(2-piperidin-1-ylethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cc(COc2c(F)cccc2F)on1
InChIInChI=1S/C18H21F2N3O3/c19-14-5-4-6-15(20)17(14)25-12-13-11-16(22-26-13)18(24)21-7-10-23-8-2-1-3-9-23/h4-6,11H,1-3,7-10,12H2,(H,21,24)
InChIKeyJYDDXRJLJUZSIT-UHFFFAOYSA-N
MW365.38 g/mol
LogP2.75
Rot. Bonds7

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

5-[(2,6-difluorophenoxy)methyl]-N-(2-piperidin-1-ylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 24794141) has the molecular formula C18H21F2N3O3 and a molecular weight of 365.38 g/mol. Its IUPAC name is 5-[(2,6-difluorophenoxy)methyl]-N-(2-piperidin-1-ylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,6-difluorophenoxy)methyl]-N-(2-piperidin-1-ylethyl)-1,2-oxazole-3-carboxamide
PubChem CID24794141
Molecular FormulaC18H21F2N3O3
Molecular Weight365.38 g/mol
Exact Mass365.16
IUPAC Name5-[(2,6-difluorophenoxy)methyl]-N-(2-piperidin-1-ylethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cc(COc2c(F)cccc2F)on1
InChIInChI=1S/C18H21F2N3O3/c19-14-5-4-6-15(20)17(14)25-12-13-11-16(22-26-13)18(24)21-7-10-23-8-2-1-3-9-23/h4-6,11H,1-3,7-10,12H2,(H,21,24)
InChIKeyJYDDXRJLJUZSIT-UHFFFAOYSA-N
XLogP2.75
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluorophenoxy)methyl]-N-(2-piperidin-1-ylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2,6-difluorophenoxy)methyl]-N-(2-piperidin-1-ylethyl)-1,2-oxazole-3-carboxamide (CID 24794141) is 5-[(2,6-difluorophenoxy)methyl]-N-(2-piperidin-1-ylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2,6-difluorophenoxy)methyl]-N-(2-piperidin-1-ylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2,6-difluorophenoxy)methyl]-N-(2-piperidin-1-ylethyl)-1,2-oxazole-3-carboxamide is O=C(NCCN1CCCCC1)c1cc(COc2c(F)cccc2F)on1.
What is the InChIKey of 5-[(2,6-difluorophenoxy)methyl]-N-(2-piperidin-1-ylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is JYDDXRJLJUZSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O3/c19-14-5-4-6-15(20)17(14)25-12-13-11-16(22-26-13)18(24)21-7-10-23-8-2-1-3-9-23/h4-6,11H,1-3,7-10,12H2,(H,21,24).
What are the key properties of 5-[(2,6-difluorophenoxy)methyl]-N-(2-piperidin-1-ylethyl)-1,2-oxazole-3-carboxamide?
5-[(2,6-difluorophenoxy)methyl]-N-(2-piperidin-1-ylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 365.38 g/mol, XLogP of 2.75, 7 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-(2-piperidin-1-ylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24794141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).