N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

C17H20F2N4O2 — CID 136545676

IUPACN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)NC3CCN(CC(F)F)CC3)co2)ccn1
InChIInChI=1S/C17H20F2N4O2/c1-11-8-12(2-5-20-11)17-22-14(10-25-17)16(24)21-13-3-6-23(7-4-13)9-15(18)19/h2,5,8,10,13,15H,3-4,6-7,9H2,1H3,(H,21,24)
InChIKeyLLDGUAHXEUQDNG-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.50
Rot. Bonds5

About N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 136545676) has the molecular formula C17H20F2N4O2 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
PubChem CID136545676
Molecular FormulaC17H20F2N4O2
Molecular Weight350.37 g/mol
Exact Mass350.16
IUPAC NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)NC3CCN(CC(F)F)CC3)co2)ccn1
InChIInChI=1S/C17H20F2N4O2/c1-11-8-12(2-5-20-11)17-22-14(10-25-17)16(24)21-13-3-6-23(7-4-13)9-15(18)19/h2,5,8,10,13,15H,3-4,6-7,9H2,1H3,(H,21,24)
InChIKeyLLDGUAHXEUQDNG-UHFFFAOYSA-N
XLogP2.50
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (CID 136545676) is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is Cc1cc(-c2nc(C(=O)NC3CCN(CC(F)F)CC3)co2)ccn1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The InChIKey is LLDGUAHXEUQDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O2/c1-11-8-12(2-5-20-11)17-22-14(10-25-17)16(24)21-13-3-6-23(7-4-13)9-15(18)19/h2,5,8,10,13,15H,3-4,6-7,9H2,1H3,(H,21,24).
What are the key properties of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 136545676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).