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

C17H9Cl2F3N2O2 — CID 13035548

IUPAC2,6-dichloro-N-[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide
SMILESO=C(Nc1cc(-c2cccc(C(F)(F)F)c2)on1)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H9Cl2F3N2O2/c18-11-5-2-6-12(19)15(11)16(25)23-14-8-13(26-24-14)9-3-1-4-10(7-9)17(20,21)22/h1-8H,(H,23,24,25)
InChIKeyWLRBJSDHIJQZDE-UHFFFAOYSA-N
MW401.17 g/mol
LogP5.92
Rot. Bonds3

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

2,6-dichloro-N-[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide (PubChem CID 13035548) has the molecular formula C17H9Cl2F3N2O2 and a molecular weight of 401.17 g/mol. Its IUPAC name is 2,6-dichloro-N-[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide
PubChem CID13035548
Molecular FormulaC17H9Cl2F3N2O2
Molecular Weight401.17 g/mol
Exact Mass400.00
IUPAC Name2,6-dichloro-N-[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide
SMILESO=C(Nc1cc(-c2cccc(C(F)(F)F)c2)on1)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H9Cl2F3N2O2/c18-11-5-2-6-12(19)15(11)16(25)23-14-8-13(26-24-14)9-3-1-4-10(7-9)17(20,21)22/h1-8H,(H,23,24,25)
InChIKeyWLRBJSDHIJQZDE-UHFFFAOYSA-N
XLogP5.92
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.17
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]carbamoyl]benzamide
CID 12960044
2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbamoyl]benzamide
CID 13242668
N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide
CID 134094337
2-chloro-N-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]benzamide
CID 20546757
2,6-dichloro-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 139070486
2,6-dichloro-N-(2,6-dichlorobenzoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide
CID 13035546
5-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17252743
N-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-2,2,2-trifluoroacetamide
CID 13035540
3-chloro-2-nitro-N-(5-phenyl-1,2-oxazol-3-yl)benzamide
CID 75425611
3-(2-bromoethyl)-5-[3-(trifluoromethyl)phenyl]-1,2-oxazole
CID 175265096
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109050141
5-(4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 52904562

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide (CID 13035548) is 2,6-dichloro-N-[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide is O=C(Nc1cc(-c2cccc(C(F)(F)F)c2)on1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide?
The InChIKey is WLRBJSDHIJQZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2F3N2O2/c18-11-5-2-6-12(19)15(11)16(25)23-14-8-13(26-24-14)9-3-1-4-10(7-9)17(20,21)22/h1-8H,(H,23,24,25).
What are the key properties of 2,6-dichloro-N-[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide?
2,6-dichloro-N-[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide has a molecular weight of 401.17 g/mol, XLogP of 5.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 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]benzamide is sourced from PubChem (CID 13035548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).