N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide

C22H14Cl2F3N3O2 — CID 90826380

IUPACN-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2)c1)c1ccccn1
InChIInChI=1S/C22H14Cl2F3N3O2/c23-15-9-14(10-16(24)11-15)21(22(25,26)27)12-19(30-32-21)13-4-3-5-17(8-13)29-20(31)18-6-1-2-7-28-18/h1-12,30H,(H,29,31)
InChIKeyTWPMTQFWVOLOTA-UHFFFAOYSA-N
MW480.27 g/mol
LogP5.97
Rot. Bonds4

About N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide

N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide (PubChem CID 90826380) has the molecular formula C22H14Cl2F3N3O2 and a molecular weight of 480.27 g/mol. Its IUPAC name is N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide
PubChem CID90826380
Molecular FormulaC22H14Cl2F3N3O2
Molecular Weight480.27 g/mol
Exact Mass479.04
IUPAC NameN-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2)c1)c1ccccn1
InChIInChI=1S/C22H14Cl2F3N3O2/c23-15-9-14(10-16(24)11-15)21(22(25,26)27)12-19(30-32-21)13-4-3-5-17(8-13)29-20(31)18-6-1-2-7-28-18/h1-12,30H,(H,29,31)
InChIKeyTWPMTQFWVOLOTA-UHFFFAOYSA-N
XLogP5.97
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.27
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide (CID 90826380) is N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide is O=C(Nc1cccc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2)c1)c1ccccn1.
What is the InChIKey of N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is TWPMTQFWVOLOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2F3N3O2/c23-15-9-14(10-16(24)11-15)21(22(25,26)27)12-19(30-32-21)13-4-3-5-17(8-13)29-20(31)18-6-1-2-7-28-18/h1-12,30H,(H,29,31).
What are the key properties of N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide?
N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 480.27 g/mol, XLogP of 5.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 90826380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).