N-[4-[1-[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]piperidin-4-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide

C28H23F3N4O3 — CID 171683895

IUPACN-[4-[1-[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]piperidin-4-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)Nc1ccc(C2CCN(C(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)CC2)cc1
InChIInChI=1S/C28H23F3N4O3/c1-16-26(38-15-32-16)27(36)33-19-7-5-17(6-8-19)18-11-13-35(14-12-18)28(37)23-10-9-22(31)25(34-23)24-20(29)3-2-4-21(24)30/h2-10,15,18H,11-14H2,1H3,(H,33,36)
InChIKeyRFEQGCJSHSXZQV-UHFFFAOYSA-N
MW520.51 g/mol
LogP5.73
Rot. Bonds5

About N-[4-[1-[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]piperidin-4-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide

N-[4-[1-[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]piperidin-4-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 171683895) has the molecular formula C28H23F3N4O3 and a molecular weight of 520.51 g/mol. Its IUPAC name is N-[4-[1-[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]piperidin-4-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[1-[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]piperidin-4-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID171683895
Molecular FormulaC28H23F3N4O3
Molecular Weight520.51 g/mol
Exact Mass520.17
IUPAC NameN-[4-[1-[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]piperidin-4-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)Nc1ccc(C2CCN(C(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)CC2)cc1
InChIInChI=1S/C28H23F3N4O3/c1-16-26(38-15-32-16)27(36)33-19-7-5-17(6-8-19)18-11-13-35(14-12-18)28(37)23-10-9-22(31)25(34-23)24-20(29)3-2-4-21(24)30/h2-10,15,18H,11-14H2,1H3,(H,33,36)
InChIKeyRFEQGCJSHSXZQV-UHFFFAOYSA-N
XLogP5.73
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.51
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]piperidin-4-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[4-[1-[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]piperidin-4-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide (CID 171683895) is N-[4-[1-[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]piperidin-4-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-[1-[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]piperidin-4-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[4-[1-[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]piperidin-4-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)Nc1ccc(C2CCN(C(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)CC2)cc1.
What is the InChIKey of N-[4-[1-[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]piperidin-4-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is RFEQGCJSHSXZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3N4O3/c1-16-26(38-15-32-16)27(36)33-19-7-5-17(6-8-19)18-11-13-35(14-12-18)28(37)23-10-9-22(31)25(34-23)24-20(29)3-2-4-21(24)30/h2-10,15,18H,11-14H2,1H3,(H,33,36).
What are the key properties of N-[4-[1-[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]piperidin-4-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[4-[1-[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]piperidin-4-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 520.51 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]piperidin-4-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 171683895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).