4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-ethylbenzamide

C19H15Cl2F3N2O2 — CID 67165066

IUPAC4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-ethylbenzamide
SMILESCCc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(N)=O
InChIInChI=1S/C19H15Cl2F3N2O2/c1-2-10-5-11(3-4-15(10)17(25)27)16-9-18(28-26-16,19(22,23)24)12-6-13(20)8-14(21)7-12/h3-8H,2,9H2,1H3,(H2,25,27)
InChIKeyVWUJQYYKAJDLIG-UHFFFAOYSA-N
MW431.24 g/mol
LogP5.24
Rot. Bonds4

About 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-ethylbenzamide

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-ethylbenzamide (PubChem CID 67165066) has the molecular formula C19H15Cl2F3N2O2 and a molecular weight of 431.24 g/mol. Its IUPAC name is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-ethylbenzamide.

Molecular Properties

Compound Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-ethylbenzamide
PubChem CID67165066
Molecular FormulaC19H15Cl2F3N2O2
Molecular Weight431.24 g/mol
Exact Mass430.05
IUPAC Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-ethylbenzamide
SMILESCCc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(N)=O
InChIInChI=1S/C19H15Cl2F3N2O2/c1-2-10-5-11(3-4-15(10)17(25)27)16-9-18(28-26-16,19(22,23)24)12-6-13(20)8-14(21)7-12/h3-8H,2,9H2,1H3,(H2,25,27)
InChIKeyVWUJQYYKAJDLIG-UHFFFAOYSA-N
XLogP5.24
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.24
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-ethylbenzamide?
The IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-ethylbenzamide (CID 67165066) is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-ethylbenzamide.
What is the SMILES notation for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-ethylbenzamide?
The canonical SMILES for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-ethylbenzamide is CCc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(N)=O.
What is the InChIKey of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-ethylbenzamide?
The InChIKey is VWUJQYYKAJDLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2F3N2O2/c1-2-10-5-11(3-4-15(10)17(25)27)16-9-18(28-26-16,19(22,23)24)12-6-13(20)8-14(21)7-12/h3-8H,2,9H2,1H3,(H2,25,27).
What are the key properties of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-ethylbenzamide?
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-ethylbenzamide has a molecular weight of 431.24 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 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-ethylbenzamide is sourced from PubChem (CID 67165066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).