3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one

C23H16ClF3N4O2 — CID 135926478

IUPAC3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(-c2ccc(N3CCCc4cc(-c5ccc(C(F)(F)F)cc5)cnc43)cc2Cl)no1
InChIInChI=1S/C23H16ClF3N4O2/c24-19-11-17(7-8-18(19)20-29-22(32)33-30-20)31-9-1-2-14-10-15(12-28-21(14)31)13-3-5-16(6-4-13)23(25,26)27/h3-8,10-12H,1-2,9H2,(H,29,30,32)
InChIKeyDJJKTGLWTUEAIX-UHFFFAOYSA-N
MW472.85 g/mol
LogP5.85
Rot. Bonds3

About 3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one

3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 135926478) has the molecular formula C23H16ClF3N4O2 and a molecular weight of 472.85 g/mol. Its IUPAC name is 3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID135926478
Molecular FormulaC23H16ClF3N4O2
Molecular Weight472.85 g/mol
Exact Mass472.09
IUPAC Name3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(-c2ccc(N3CCCc4cc(-c5ccc(C(F)(F)F)cc5)cnc43)cc2Cl)no1
InChIInChI=1S/C23H16ClF3N4O2/c24-19-11-17(7-8-18(19)20-29-22(32)33-30-20)31-9-1-2-14-10-15(12-28-21(14)31)13-3-5-16(6-4-13)23(25,26)27/h3-8,10-12H,1-2,9H2,(H,29,30,32)
InChIKeyDJJKTGLWTUEAIX-UHFFFAOYSA-N
XLogP5.85
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.85
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one 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 3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one (CID 135926478) is 3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one is O=c1[nH]c(-c2ccc(N3CCCc4cc(-c5ccc(C(F)(F)F)cc5)cnc43)cc2Cl)no1.
What is the InChIKey of 3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is DJJKTGLWTUEAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF3N4O2/c24-19-11-17(7-8-18(19)20-29-22(32)33-30-20)31-9-1-2-14-10-15(12-28-21(14)31)13-3-5-16(6-4-13)23(25,26)27/h3-8,10-12H,1-2,9H2,(H,29,30,32).
What are the key properties of 3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one?
3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 472.85 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135926478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).