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

C18H13ClF3N3O2 — CID 166761112

IUPAC3-chloro-N-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide
SMILESC[C@H](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)/t10-/m0/s1
InChIKeyNPNXZNIIYRUSEM-JTQLQIEISA-N
MW395.77 g/mol
LogP4.90
Rot. Bonds4

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

3-chloro-N-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide (PubChem CID 166761112) has the molecular formula C18H13ClF3N3O2 and a molecular weight of 395.77 g/mol. Its IUPAC name is 3-chloro-N-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide
PubChem CID166761112
Molecular FormulaC18H13ClF3N3O2
Molecular Weight395.77 g/mol
Exact Mass395.06
IUPAC Name3-chloro-N-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide
SMILESC[C@H](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)/t10-/m0/s1
InChIKeyNPNXZNIIYRUSEM-JTQLQIEISA-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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide?
The IUPAC name of 3-chloro-N-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide (CID 166761112) is 3-chloro-N-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide is C[C@H](NC(=O)c1cccc(Cl)c1)c1cc(-c2ccnc(C(F)(F)F)c2)no1.
What is the InChIKey of 3-chloro-N-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide?
The InChIKey is NPNXZNIIYRUSEM-JTQLQIEISA-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)/t10-/m0/s1.
What are the key properties of 3-chloro-N-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide?
3-chloro-N-[(1S)-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-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 166761112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).