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

C24H17ClF3N3O2 — CID 157440810

IUPAC3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-4H-1,2-oxazol-5-one
SMILESO=C1CC(c2ccc(N3CCCc4cc(-c5ccc(C(F)(F)F)cc5)cnc43)cc2Cl)=NO1
InChIInChI=1S/C24H17ClF3N3O2/c25-20-11-18(7-8-19(20)21-12-22(32)33-30-21)31-9-1-2-15-10-16(13-29-23(15)31)14-3-5-17(6-4-14)24(26,27)28/h3-8,10-11,13H,1-2,9,12H2
InChIKeyBRQMWHQXZWBKEA-UHFFFAOYSA-N
MW471.87 g/mol
LogP6.16
Rot. Bonds3

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

3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-4H-1,2-oxazol-5-one (PubChem CID 157440810) has the molecular formula C24H17ClF3N3O2 and a molecular weight of 471.87 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-oxazol-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-oxazol-5-one
PubChem CID157440810
Molecular FormulaC24H17ClF3N3O2
Molecular Weight471.87 g/mol
Exact Mass471.10
IUPAC Name3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-4H-1,2-oxazol-5-one
SMILESO=C1CC(c2ccc(N3CCCc4cc(-c5ccc(C(F)(F)F)cc5)cnc43)cc2Cl)=NO1
InChIInChI=1S/C24H17ClF3N3O2/c25-20-11-18(7-8-19(20)21-12-22(32)33-30-21)31-9-1-2-15-10-16(13-29-23(15)31)14-3-5-17(6-4-14)24(26,27)28/h3-8,10-11,13H,1-2,9,12H2
InChIKeyBRQMWHQXZWBKEA-UHFFFAOYSA-N
XLogP6.16
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.87
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

Analyze 3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-4H-1,2-oxazol-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-oxazol-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-oxazol-5-one (CID 157440810) is 3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-4H-1,2-oxazol-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-oxazol-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-oxazol-5-one is O=C1CC(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-oxazol-5-one?
The InChIKey is BRQMWHQXZWBKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N3O2/c25-20-11-18(7-8-19(20)21-12-22(32)33-30-21)31-9-1-2-15-10-16(13-29-23(15)31)14-3-5-17(6-4-14)24(26,27)28/h3-8,10-11,13H,1-2,9,12H2.
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-oxazol-5-one?
3-[2-chloro-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]phenyl]-4H-1,2-oxazol-5-one has a molecular weight of 471.87 g/mol, XLogP of 6.16, 3 rotatable bonds, 0 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-oxazol-5-one is sourced from PubChem (CID 157440810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).