2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]carbamoyl]benzamide

C18H10Cl2F3N3O3 — CID 12960044

IUPAC2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1cc(-c2cccc(C(F)(F)F)c2)on1
InChIInChI=1S/C18H10Cl2F3N3O3/c19-11-5-2-6-12(20)15(11)16(27)25-17(28)24-14-8-13(29-26-14)9-3-1-4-10(7-9)18(21,22)23/h1-8H,(H2,24,25,26,27,28)
InChIKeyGSPWNPFIHICFPH-UHFFFAOYSA-N
MW444.20 g/mol
LogP5.63
Rot. Bonds3

About 2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]carbamoyl]benzamide

2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]carbamoyl]benzamide (PubChem CID 12960044) has the molecular formula C18H10Cl2F3N3O3 and a molecular weight of 444.20 g/mol. Its IUPAC name is 2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]carbamoyl]benzamide
PubChem CID12960044
Molecular FormulaC18H10Cl2F3N3O3
Molecular Weight444.20 g/mol
Exact Mass443.01
IUPAC Name2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1cc(-c2cccc(C(F)(F)F)c2)on1
InChIInChI=1S/C18H10Cl2F3N3O3/c19-11-5-2-6-12(20)15(11)16(27)25-17(28)24-14-8-13(29-26-14)9-3-1-4-10(7-9)18(21,22)23/h1-8H,(H2,24,25,26,27,28)
InChIKeyGSPWNPFIHICFPH-UHFFFAOYSA-N
XLogP5.63
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.20
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]carbamoyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]carbamoyl]benzamide (CID 12960044) is 2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]carbamoyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]carbamoyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]carbamoyl]benzamide is O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1cc(-c2cccc(C(F)(F)F)c2)on1.
What is the InChIKey of 2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]carbamoyl]benzamide?
The InChIKey is GSPWNPFIHICFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2F3N3O3/c19-11-5-2-6-12(20)15(11)16(27)25-17(28)24-14-8-13(29-26-14)9-3-1-4-10(7-9)18(21,22)23/h1-8H,(H2,24,25,26,27,28).
What are the key properties of 2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]carbamoyl]benzamide?
2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]carbamoyl]benzamide has a molecular weight of 444.20 g/mol, XLogP of 5.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]carbamoyl]benzamide is sourced from PubChem (CID 12960044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).