N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide

C24H20F5N5O2 — CID 166633410

IUPACN-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
SMILESCCC(c1ccc(C(F)(F)F)cc1C(C)(F)F)n1cc(NC(=O)c2cc(-c3ccccn3)on2)cn1
InChIInChI=1S/C24H20F5N5O2/c1-3-20(16-8-7-14(24(27,28)29)10-17(16)23(2,25)26)34-13-15(12-31-34)32-22(35)19-11-21(36-33-19)18-6-4-5-9-30-18/h4-13,20H,3H2,1-2H3,(H,32,35)
InChIKeyIKBQDFFQCVGOCC-UHFFFAOYSA-N
MW505.45 g/mol
LogP6.32
Rot. Bonds7

About N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide

N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 166633410) has the molecular formula C24H20F5N5O2 and a molecular weight of 505.45 g/mol. Its IUPAC name is N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
PubChem CID166633410
Molecular FormulaC24H20F5N5O2
Molecular Weight505.45 g/mol
Exact Mass505.15
IUPAC NameN-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
SMILESCCC(c1ccc(C(F)(F)F)cc1C(C)(F)F)n1cc(NC(=O)c2cc(-c3ccccn3)on2)cn1
InChIInChI=1S/C24H20F5N5O2/c1-3-20(16-8-7-14(24(27,28)29)10-17(16)23(2,25)26)34-13-15(12-31-34)32-22(35)19-11-21(36-33-19)18-6-4-5-9-30-18/h4-13,20H,3H2,1-2H3,(H,32,35)
InChIKeyIKBQDFFQCVGOCC-UHFFFAOYSA-N
XLogP6.32
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.45
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide (CID 166633410) is N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide is CCC(c1ccc(C(F)(F)F)cc1C(C)(F)F)n1cc(NC(=O)c2cc(-c3ccccn3)on2)cn1.
What is the InChIKey of N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is IKBQDFFQCVGOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F5N5O2/c1-3-20(16-8-7-14(24(27,28)29)10-17(16)23(2,25)26)34-13-15(12-31-34)32-22(35)19-11-21(36-33-19)18-6-4-5-9-30-18/h4-13,20H,3H2,1-2H3,(H,32,35).
What are the key properties of N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide?
N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 505.45 g/mol, XLogP of 6.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 166633410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).