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

C24H18Cl2F3N3O2 — CID 25144318

IUPAC4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCc1ccccn1
InChIInChI=1S/C24H18Cl2F3N3O2/c1-14-8-15(5-6-20(14)22(33)31-13-19-4-2-3-7-30-19)21-12-23(34-32-21,24(27,28)29)16-9-17(25)11-18(26)10-16/h2-11H,12-13H2,1H3,(H,31,33)
InChIKeyJSLYEODRXZNXRX-UHFFFAOYSA-N
MW508.33 g/mol
LogP6.21
Rot. Bonds5

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

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 25144318) has the molecular formula C24H18Cl2F3N3O2 and a molecular weight of 508.33 g/mol. Its IUPAC name is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID25144318
Molecular FormulaC24H18Cl2F3N3O2
Molecular Weight508.33 g/mol
Exact Mass507.07
IUPAC Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCc1ccccn1
InChIInChI=1S/C24H18Cl2F3N3O2/c1-14-8-15(5-6-20(14)22(33)31-13-19-4-2-3-7-30-19)21-12-23(34-32-21,24(27,28)29)16-9-17(25)11-18(26)10-16/h2-11H,12-13H2,1H3,(H,31,33)
InChIKeyJSLYEODRXZNXRX-UHFFFAOYSA-N
XLogP6.21
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.33
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide (CID 25144318) is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide is Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCc1ccccn1.
What is the InChIKey of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is JSLYEODRXZNXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2F3N3O2/c1-14-8-15(5-6-20(14)22(33)31-13-19-4-2-3-7-30-19)21-12-23(34-32-21,24(27,28)29)16-9-17(25)11-18(26)10-16/h2-11H,12-13H2,1H3,(H,31,33).
What are the key properties of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide?
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 508.33 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 25144318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).