3-chloro-N-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]benzamide

C17H10ClF3N2O2 — CID 118862316

IUPAC3-chloro-N-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(-c2cnco2)cc(C(F)(F)F)c1)c1cccc(Cl)c1
InChIInChI=1S/C17H10ClF3N2O2/c18-13-3-1-2-10(5-13)16(24)23-14-6-11(15-8-22-9-25-15)4-12(7-14)17(19,20)21/h1-9H,(H,23,24)
InChIKeyZLCQVWFLQXJOKN-UHFFFAOYSA-N
MW366.73 g/mol
LogP5.27
Rot. Bonds3

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

3-chloro-N-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 118862316) has the molecular formula C17H10ClF3N2O2 and a molecular weight of 366.73 g/mol. Its IUPAC name is 3-chloro-N-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]benzamide
PubChem CID118862316
Molecular FormulaC17H10ClF3N2O2
Molecular Weight366.73 g/mol
Exact Mass366.04
IUPAC Name3-chloro-N-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(-c2cnco2)cc(C(F)(F)F)c1)c1cccc(Cl)c1
InChIInChI=1S/C17H10ClF3N2O2/c18-13-3-1-2-10(5-13)16(24)23-14-6-11(15-8-22-9-25-15)4-12(7-14)17(19,20)21/h1-9H,(H,23,24)
InChIKeyZLCQVWFLQXJOKN-UHFFFAOYSA-N
XLogP5.27
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.73
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]benzamide (CID 118862316) is 3-chloro-N-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cc(-c2cnco2)cc(C(F)(F)F)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is ZLCQVWFLQXJOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N2O2/c18-13-3-1-2-10(5-13)16(24)23-14-6-11(15-8-22-9-25-15)4-12(7-14)17(19,20)21/h1-9H,(H,23,24).
What are the key properties of 3-chloro-N-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]benzamide?
3-chloro-N-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 366.73 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 118862316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).