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

C19H13F6N3O2 — CID 166760951

IUPAC3-(trifluoromethyl)-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1cc(-c2ccnc(C(F)(F)F)c2)no1
InChIInChI=1S/C19H13F6N3O2/c1-10(27-17(29)12-3-2-4-13(7-12)18(20,21)22)15-9-14(28-30-15)11-5-6-26-16(8-11)19(23,24)25/h2-10H,1H3,(H,27,29)/t10-/m1/s1
InChIKeyPHEWVRMDJVESLV-SNVBAGLBSA-N
MW429.32 g/mol
LogP5.27
Rot. Bonds4

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

3-(trifluoromethyl)-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide (PubChem CID 166760951) has the molecular formula C19H13F6N3O2 and a molecular weight of 429.32 g/mol. Its IUPAC name is 3-(trifluoromethyl)-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-(trifluoromethyl)-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide
PubChem CID166760951
Molecular FormulaC19H13F6N3O2
Molecular Weight429.32 g/mol
Exact Mass429.09
IUPAC Name3-(trifluoromethyl)-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1cc(-c2ccnc(C(F)(F)F)c2)no1
InChIInChI=1S/C19H13F6N3O2/c1-10(27-17(29)12-3-2-4-13(7-12)18(20,21)22)15-9-14(28-30-15)11-5-6-26-16(8-11)19(23,24)25/h2-10H,1H3,(H,27,29)/t10-/m1/s1
InChIKeyPHEWVRMDJVESLV-SNVBAGLBSA-N
XLogP5.27
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.32
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide?
The IUPAC name of 3-(trifluoromethyl)-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide (CID 166760951) is 3-(trifluoromethyl)-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 3-(trifluoromethyl)-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide?
The canonical SMILES for 3-(trifluoromethyl)-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide is C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1cc(-c2ccnc(C(F)(F)F)c2)no1.
What is the InChIKey of 3-(trifluoromethyl)-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide?
The InChIKey is PHEWVRMDJVESLV-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H13F6N3O2/c1-10(27-17(29)12-3-2-4-13(7-12)18(20,21)22)15-9-14(28-30-15)11-5-6-26-16(8-11)19(23,24)25/h2-10H,1H3,(H,27,29)/t10-/m1/s1.
What are the key properties of 3-(trifluoromethyl)-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide?
3-(trifluoromethyl)-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide has a molecular weight of 429.32 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 166760951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).