(3R,4R)-3'-(2-fluorophenyl)-4-hydroxyspiro[1,4-dihydroquinoline-3,5'-4H-1,2-oxazole]-2-one

C17H13FN2O3 — CID 25171093

IUPAC(3R,4R)-3'-(2-fluorophenyl)-4-hydroxyspiro[1,4-dihydroquinoline-3,5'-4H-1,2-oxazole]-2-one
SMILESO=C1Nc2ccccc2[C@@H](O)[C@]12CC(c1ccccc1F)=NO2
InChIInChI=1S/C17H13FN2O3/c18-12-7-3-1-5-10(12)14-9-17(23-20-14)15(21)11-6-2-4-8-13(11)19-16(17)22/h1-8,15,21H,9H2,(H,19,22)/t15-,17-/m1/s1
InChIKeyZMGYZEBVLDJZLU-NVXWUHKLSA-N
MW312.30 g/mol
LogP2.37
Rot. Bonds1

About (3R,4R)-3'-(2-fluorophenyl)-4-hydroxyspiro[1,4-dihydroquinoline-3,5'-4H-1,2-oxazole]-2-one

(3R,4R)-3'-(2-fluorophenyl)-4-hydroxyspiro[1,4-dihydroquinoline-3,5'-4H-1,2-oxazole]-2-one (PubChem CID 25171093) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is (3R,4R)-3'-(2-fluorophenyl)-4-hydroxyspiro[1,4-dihydroquinoline-3,5'-4H-1,2-oxazole]-2-one.

Molecular Properties

Compound Name(3R,4R)-3'-(2-fluorophenyl)-4-hydroxyspiro[1,4-dihydroquinoline-3,5'-4H-1,2-oxazole]-2-one
PubChem CID25171093
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Name(3R,4R)-3'-(2-fluorophenyl)-4-hydroxyspiro[1,4-dihydroquinoline-3,5'-4H-1,2-oxazole]-2-one
SMILESO=C1Nc2ccccc2[C@@H](O)[C@]12CC(c1ccccc1F)=NO2
InChIInChI=1S/C17H13FN2O3/c18-12-7-3-1-5-10(12)14-9-17(23-20-14)15(21)11-6-2-4-8-13(11)19-16(17)22/h1-8,15,21H,9H2,(H,19,22)/t15-,17-/m1/s1
InChIKeyZMGYZEBVLDJZLU-NVXWUHKLSA-N
XLogP2.37
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-3'-(2-fluorophenyl)-4-hydroxyspiro[1,4-dihydroquinoline-3,5'-4H-1,2-oxazole]-2-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 (3R,4R)-3'-(2-fluorophenyl)-4-hydroxyspiro[1,4-dihydroquinoline-3,5'-4H-1,2-oxazole]-2-one?
The IUPAC name of (3R,4R)-3'-(2-fluorophenyl)-4-hydroxyspiro[1,4-dihydroquinoline-3,5'-4H-1,2-oxazole]-2-one (CID 25171093) is (3R,4R)-3'-(2-fluorophenyl)-4-hydroxyspiro[1,4-dihydroquinoline-3,5'-4H-1,2-oxazole]-2-one.
What is the SMILES notation for (3R,4R)-3'-(2-fluorophenyl)-4-hydroxyspiro[1,4-dihydroquinoline-3,5'-4H-1,2-oxazole]-2-one?
The canonical SMILES for (3R,4R)-3'-(2-fluorophenyl)-4-hydroxyspiro[1,4-dihydroquinoline-3,5'-4H-1,2-oxazole]-2-one is O=C1Nc2ccccc2[C@@H](O)[C@]12CC(c1ccccc1F)=NO2.
What is the InChIKey of (3R,4R)-3'-(2-fluorophenyl)-4-hydroxyspiro[1,4-dihydroquinoline-3,5'-4H-1,2-oxazole]-2-one?
The InChIKey is ZMGYZEBVLDJZLU-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H13FN2O3/c18-12-7-3-1-5-10(12)14-9-17(23-20-14)15(21)11-6-2-4-8-13(11)19-16(17)22/h1-8,15,21H,9H2,(H,19,22)/t15-,17-/m1/s1.
What are the key properties of (3R,4R)-3'-(2-fluorophenyl)-4-hydroxyspiro[1,4-dihydroquinoline-3,5'-4H-1,2-oxazole]-2-one?
(3R,4R)-3'-(2-fluorophenyl)-4-hydroxyspiro[1,4-dihydroquinoline-3,5'-4H-1,2-oxazole]-2-one has a molecular weight of 312.30 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3'-(2-fluorophenyl)-4-hydroxyspiro[1,4-dihydroquinoline-3,5'-4H-1,2-oxazole]-2-one is sourced from PubChem (CID 25171093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).