N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide

C22H14Cl2F3N3O2 — CID 59355660

IUPACN-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)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/h1-11H,12H2,(H,29,31)
InChIKeyXAOMJHVGMMIJJZ-UHFFFAOYSA-N
MW480.27 g/mol
LogP6.22
Rot. Bonds4

About N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide

N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide (PubChem CID 59355660) 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)-4H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide
PubChem CID59355660
Molecular FormulaC22H14Cl2F3N3O2
Molecular Weight480.27 g/mol
Exact Mass479.04
IUPAC NameN-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)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/h1-11H,12H2,(H,29,31)
InChIKeyXAOMJHVGMMIJJZ-UHFFFAOYSA-N
XLogP6.22
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.27
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4S)-2-amino-9,9-difluoro-4-methyl-1-oxa-3-azaspiro[5.5]undec-2-en-4-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 71744393
4-[5-(3,5-dichlorophenyl)-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 17747581
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide
CID 23658365
5-[5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-N-(2-pyridinylmethyl)-8-isoquinolinecarboxamide
CID 23658390
4-[5-(3,5-Dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-2-methyl-N-pyridin-2-ylmethyl-benzamide
CID 25144318
N-[[3-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridin-2-yl]methyl]cyclopropanecarboxamide
CID 25182665
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-propanoyl-N-(pyridin-2-ylmethyl)benzamide
CID 25217361
methyl N-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]-N-(pyridin-2-ylmethyl)carbamate
CID 25217968
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 44602783
5-Chloro-pyridine-2-carboxylic acid [3-((R)-2-amino-5,5-difluoro-4,6,6-trimethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
CID 53242026
N-[2-Oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl]-5-[5-(trifluoromethyl)-5-(3,5-dichlorophenyl)-2-isoxazoline-3-yl]indolizine-8-carboxamide
CID 53252789
N-(5-(5-(3,5-dichlorophenyl)-4,5-dihydro-5-trifluoromethyl-3-isoxazolyl)-2-methylphenyl)-6-chloronicotinamide
CID 53628327

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide (CID 59355660) is N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide is O=C(Nc1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1)c1ccccn1.
What is the InChIKey of N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is XAOMJHVGMMIJJZ-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/h1-11H,12H2,(H,29,31).
What are the key properties of N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide?
N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 480.27 g/mol, XLogP of 6.22, 4 rotatable bonds, 1 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)-4H-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 59355660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).