2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(1,2-oxazol-3-yl)acetamide

C20H15F4N3O2 — CID 118024324

IUPAC2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(1,2-oxazol-3-yl)acetamide
SMILESO=C(CC1CCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21)Nc1ccon1
InChIInChI=1S/C20H15F4N3O2/c21-17-7-11(2-4-16(17)20(22,23)24)14-9-25-10-15-12(1-3-13(14)15)8-19(28)26-18-5-6-29-27-18/h2,4-7,9-10,12H,1,3,8H2,(H,26,27,28)
InChIKeyGMUNHZGTDBIQOY-UHFFFAOYSA-N
MW405.35 g/mol
LogP4.95
Rot. Bonds4

About 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(1,2-oxazol-3-yl)acetamide

2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(1,2-oxazol-3-yl)acetamide (PubChem CID 118024324) has the molecular formula C20H15F4N3O2 and a molecular weight of 405.35 g/mol. Its IUPAC name is 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(1,2-oxazol-3-yl)acetamide
PubChem CID118024324
Molecular FormulaC20H15F4N3O2
Molecular Weight405.35 g/mol
Exact Mass405.11
IUPAC Name2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(1,2-oxazol-3-yl)acetamide
SMILESO=C(CC1CCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21)Nc1ccon1
InChIInChI=1S/C20H15F4N3O2/c21-17-7-11(2-4-16(17)20(22,23)24)14-9-25-10-15-12(1-3-13(14)15)8-19(28)26-18-5-6-29-27-18/h2,4-7,9-10,12H,1,3,8H2,(H,26,27,28)
InChIKeyGMUNHZGTDBIQOY-UHFFFAOYSA-N
XLogP4.95
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.35
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(1,2-oxazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(1,2-oxazol-3-yl)acetamide (CID 118024324) is 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(1,2-oxazol-3-yl)acetamide is O=C(CC1CCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21)Nc1ccon1.
What is the InChIKey of 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(1,2-oxazol-3-yl)acetamide?
The InChIKey is GMUNHZGTDBIQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N3O2/c21-17-7-11(2-4-16(17)20(22,23)24)14-9-25-10-15-12(1-3-13(14)15)8-19(28)26-18-5-6-29-27-18/h2,4-7,9-10,12H,1,3,8H2,(H,26,27,28).
What are the key properties of 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(1,2-oxazol-3-yl)acetamide?
2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(1,2-oxazol-3-yl)acetamide has a molecular weight of 405.35 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 118024324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).