4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-ethyl-N-(pyridin-2-ylmethyl)benzamide

C25H20Cl2F3N3O2 — CID 90715112

IUPAC4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-ethyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCCc1cc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2)ccc1C(=O)NCc1ccccn1
InChIInChI=1S/C25H20Cl2F3N3O2/c1-2-15-9-16(6-7-21(15)23(34)32-14-20-5-3-4-8-31-20)22-13-24(35-33-22,25(28,29)30)17-10-18(26)12-19(27)11-17/h3-13,33H,2,14H2,1H3,(H,32,34)
InChIKeyPDXVAVAVNVUNSU-UHFFFAOYSA-N
MW522.35 g/mol
LogP6.21
Rot. Bonds6

About 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-ethyl-N-(pyridin-2-ylmethyl)benzamide

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-ethyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 90715112) has the molecular formula C25H20Cl2F3N3O2 and a molecular weight of 522.35 g/mol. Its IUPAC name is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-ethyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-ethyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID90715112
Molecular FormulaC25H20Cl2F3N3O2
Molecular Weight522.35 g/mol
Exact Mass521.09
IUPAC Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-ethyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCCc1cc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2)ccc1C(=O)NCc1ccccn1
InChIInChI=1S/C25H20Cl2F3N3O2/c1-2-15-9-16(6-7-21(15)23(34)32-14-20-5-3-4-8-31-20)22-13-24(35-33-22,25(28,29)30)17-10-18(26)12-19(27)11-17/h3-13,33H,2,14H2,1H3,(H,32,34)
InChIKeyPDXVAVAVNVUNSU-UHFFFAOYSA-N
XLogP6.21
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.35
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 91583660
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 91352516
N-(5-chloro-2-pyridinyl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylbenzamide
CID 90862528
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-(2-hydroxyethyl)naphthalene-1-carboxamide
CID 91213501
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 66785191
4-[4-(3,5-dichlorophenyl)-5-hydroxy-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 69401691
N-acetyl-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-(2,4-difluorophenyl)-2-methylbenzamide
CID 91149497
5-(3,5-dichlorophenyl)-3-(3-iodo-4-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 91546984
1-[3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-2-methylpropan-1-one
CID 123503269
4-[4-(3,5-dichlorophenyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 91444748
tert-butyl N-[3-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]naphthalene-1-carbonyl]amino]propyl]-N-methylcarbamate
CID 91353368
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methyl-N-(2-methyl-3-oxo-1,2-oxazolidin-4-yl)benzamide
CID 123629509

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-ethyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-ethyl-N-(pyridin-2-ylmethyl)benzamide (CID 90715112) is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-ethyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-ethyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-ethyl-N-(pyridin-2-ylmethyl)benzamide is CCc1cc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2)ccc1C(=O)NCc1ccccn1.
What is the InChIKey of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-ethyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is PDXVAVAVNVUNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2F3N3O2/c1-2-15-9-16(6-7-21(15)23(34)32-14-20-5-3-4-8-31-20)22-13-24(35-33-22,25(28,29)30)17-10-18(26)12-19(27)11-17/h3-13,33H,2,14H2,1H3,(H,32,34).
What are the key properties of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-ethyl-N-(pyridin-2-ylmethyl)benzamide?
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-ethyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 522.35 g/mol, XLogP of 6.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-ethyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 90715112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).