3-pyridin-2-yl-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide

C28H22F3N5O2 — CID 88989778

IUPAC3-pyridin-2-yl-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cc(C2=NOC(c3ccccn3)C2)cc(-c2ccccn2)c1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C28H22F3N5O2/c1-17(18-8-9-26(34-16-18)28(29,30)31)35-27(37)21-13-19(22-6-2-4-10-32-22)12-20(14-21)24-15-25(38-36-24)23-7-3-5-11-33-23/h2-14,16-17,25H,15H2,1H3,(H,35,37)/t17-,25?/m1/s1
InChIKeyCRXMGGSOXAYYAU-SMFUYQKNSA-N
MW517.51 g/mol
LogP5.91
Rot. Bonds6

About 3-pyridin-2-yl-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide

3-pyridin-2-yl-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide (PubChem CID 88989778) has the molecular formula C28H22F3N5O2 and a molecular weight of 517.51 g/mol. Its IUPAC name is 3-pyridin-2-yl-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide.

Molecular Properties

Compound Name3-pyridin-2-yl-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide
PubChem CID88989778
Molecular FormulaC28H22F3N5O2
Molecular Weight517.51 g/mol
Exact Mass517.17
IUPAC Name3-pyridin-2-yl-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cc(C2=NOC(c3ccccn3)C2)cc(-c2ccccn2)c1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C28H22F3N5O2/c1-17(18-8-9-26(34-16-18)28(29,30)31)35-27(37)21-13-19(22-6-2-4-10-32-22)12-20(14-21)24-15-25(38-36-24)23-7-3-5-11-33-23/h2-14,16-17,25H,15H2,1H3,(H,35,37)/t17-,25?/m1/s1
InChIKeyCRXMGGSOXAYYAU-SMFUYQKNSA-N
XLogP5.91
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.51
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-pyridin-2-yl-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide?
The IUPAC name of 3-pyridin-2-yl-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide (CID 88989778) is 3-pyridin-2-yl-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide.
What is the SMILES notation for 3-pyridin-2-yl-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide?
The canonical SMILES for 3-pyridin-2-yl-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide is C[C@@H](NC(=O)c1cc(C2=NOC(c3ccccn3)C2)cc(-c2ccccn2)c1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 3-pyridin-2-yl-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide?
The InChIKey is CRXMGGSOXAYYAU-SMFUYQKNSA-N. The full InChI is InChI=1S/C28H22F3N5O2/c1-17(18-8-9-26(34-16-18)28(29,30)31)35-27(37)21-13-19(22-6-2-4-10-32-22)12-20(14-21)24-15-25(38-36-24)23-7-3-5-11-33-23/h2-14,16-17,25H,15H2,1H3,(H,35,37)/t17-,25?/m1/s1.
What are the key properties of 3-pyridin-2-yl-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide?
3-pyridin-2-yl-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide has a molecular weight of 517.51 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide is sourced from PubChem (CID 88989778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).