2-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-oxazole

C21H23FN2O — CID 175960572

IUPAC2-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-oxazole
SMILESC[C@H](CC1CCC(c2ccnc3ccc(F)cc23)CC1)c1ncco1
InChIInChI=1S/C21H23FN2O/c1-14(21-24-10-11-25-21)12-15-2-4-16(5-3-15)18-8-9-23-20-7-6-17(22)13-19(18)20/h6-11,13-16H,2-5,12H2,1H3/t14-,15?,16?/m1/s1
InChIKeyAJKQHMMPWJGRSW-QQFBHYJXSA-N
MW338.43 g/mol
LogP5.83
Rot. Bonds4

About 2-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-oxazole

2-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-oxazole (PubChem CID 175960572) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-oxazole
PubChem CID175960572
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC Name2-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-oxazole
SMILESC[C@H](CC1CCC(c2ccnc3ccc(F)cc23)CC1)c1ncco1
InChIInChI=1S/C21H23FN2O/c1-14(21-24-10-11-25-21)12-15-2-4-16(5-3-15)18-8-9-23-20-7-6-17(22)13-19(18)20/h6-11,13-16H,2-5,12H2,1H3/t14-,15?,16?/m1/s1
InChIKeyAJKQHMMPWJGRSW-QQFBHYJXSA-N
XLogP5.83
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.43
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-oxazole 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-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-oxazole?
The IUPAC name of 2-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-oxazole (CID 175960572) is 2-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-oxazole is C[C@H](CC1CCC(c2ccnc3ccc(F)cc23)CC1)c1ncco1.
What is the InChIKey of 2-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-oxazole?
The InChIKey is AJKQHMMPWJGRSW-QQFBHYJXSA-N. The full InChI is InChI=1S/C21H23FN2O/c1-14(21-24-10-11-25-21)12-15-2-4-16(5-3-15)18-8-9-23-20-7-6-17(22)13-19(18)20/h6-11,13-16H,2-5,12H2,1H3/t14-,15?,16?/m1/s1.
What are the key properties of 2-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-oxazole?
2-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-oxazole has a molecular weight of 338.43 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-oxazole is sourced from PubChem (CID 175960572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).