2-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide

C18H12F6N2O2 — CID 135321916

IUPAC2-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide
SMILESNC(=O)c1ccccc1C1=NOC(c2cccc(C(F)(F)F)c2)(C(F)(F)F)C1
InChIInChI=1S/C18H12F6N2O2/c19-17(20,21)11-5-3-4-10(8-11)16(18(22,23)24)9-14(26-28-16)12-6-1-2-7-13(12)15(25)27/h1-8H,9H2,(H2,25,27)
InChIKeyFYWZIGPOCXYRTI-UHFFFAOYSA-N
MW402.29 g/mol
LogP4.39
Rot. Bonds3

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

2-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide (PubChem CID 135321916) has the molecular formula C18H12F6N2O2 and a molecular weight of 402.29 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide
PubChem CID135321916
Molecular FormulaC18H12F6N2O2
Molecular Weight402.29 g/mol
Exact Mass402.08
IUPAC Name2-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide
SMILESNC(=O)c1ccccc1C1=NOC(c2cccc(C(F)(F)F)c2)(C(F)(F)F)C1
InChIInChI=1S/C18H12F6N2O2/c19-17(20,21)11-5-3-4-10(8-11)16(18(22,23)24)9-14(26-28-16)12-6-1-2-7-13(12)15(25)27/h1-8H,9H2,(H2,25,27)
InChIKeyFYWZIGPOCXYRTI-UHFFFAOYSA-N
XLogP4.39
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide?
The IUPAC name of 2-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide (CID 135321916) is 2-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide.
What is the SMILES notation for 2-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide?
The canonical SMILES for 2-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide is NC(=O)c1ccccc1C1=NOC(c2cccc(C(F)(F)F)c2)(C(F)(F)F)C1.
What is the InChIKey of 2-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide?
The InChIKey is FYWZIGPOCXYRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F6N2O2/c19-17(20,21)11-5-3-4-10(8-11)16(18(22,23)24)9-14(26-28-16)12-6-1-2-7-13(12)15(25)27/h1-8H,9H2,(H2,25,27).
What are the key properties of 2-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide?
2-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide has a molecular weight of 402.29 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide is sourced from PubChem (CID 135321916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).