3-chloro-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide

C18H13ClF3N3O2 — CID 166761096

IUPAC3-chloro-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1)c1cc(-c2ccnc(C(F)(F)F)c2)no1
InChIInChI=1S/C18H13ClF3N3O2/c1-10(24-17(26)12-3-2-4-13(19)7-12)15-9-14(25-27-15)11-5-6-23-16(8-11)18(20,21)22/h2-10H,1H3,(H,24,26)
InChIKeyNPNXZNIIYRUSEM-UHFFFAOYSA-N
MW395.77 g/mol
LogP4.90
Rot. Bonds4

About 3-chloro-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide

3-chloro-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide (PubChem CID 166761096) has the molecular formula C18H13ClF3N3O2 and a molecular weight of 395.77 g/mol. Its IUPAC name is 3-chloro-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide
PubChem CID166761096
Molecular FormulaC18H13ClF3N3O2
Molecular Weight395.77 g/mol
Exact Mass395.06
IUPAC Name3-chloro-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1)c1cc(-c2ccnc(C(F)(F)F)c2)no1
InChIInChI=1S/C18H13ClF3N3O2/c1-10(24-17(26)12-3-2-4-13(19)7-12)15-9-14(25-27-15)11-5-6-23-16(8-11)18(20,21)22/h2-10H,1H3,(H,24,26)
InChIKeyNPNXZNIIYRUSEM-UHFFFAOYSA-N
XLogP4.90
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.77
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-propan-2-yl-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]pyrazole-5-carboxamide
CID 166761039
N-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]pyridine-4-carboxamide
CID 166519106
2-methyl-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]propane-2-sulfinamide
CID 166760977
N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-(difluoromethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 164846753
N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 52800488
1-benzyl-3-(trifluoromethyl)-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide
CID 155272251
2-(dimethylamino)-N-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 166519130
N-[1-(3-chlorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 46518843
3-chloro-N-propan-2-ylbenzamide
CID 669184
N-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 167524017
3-chloro-N-(3-oxobutan-2-yl)benzamide
CID 64997142
3-chloro-N-[2-[3-(2-ethyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide;hydrochloride
CID 170312072

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide?
The IUPAC name of 3-chloro-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide (CID 166761096) is 3-chloro-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide is CC(NC(=O)c1cccc(Cl)c1)c1cc(-c2ccnc(C(F)(F)F)c2)no1.
What is the InChIKey of 3-chloro-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide?
The InChIKey is NPNXZNIIYRUSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O2/c1-10(24-17(26)12-3-2-4-13(19)7-12)15-9-14(25-27-15)11-5-6-23-16(8-11)18(20,21)22/h2-10H,1H3,(H,24,26).
What are the key properties of 3-chloro-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide?
3-chloro-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide has a molecular weight of 395.77 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 166761096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).