3-(4-fluorophenyl)-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H21FN2O3 — CID 155964384

IUPAC3-(4-fluorophenyl)-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC12CCC(O)(CC1)CC2)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C18H21FN2O3/c19-13-3-1-12(2-4-13)14-11-15(24-21-14)16(22)20-17-5-8-18(23,9-6-17)10-7-17/h1-4,15,23H,5-11H2,(H,20,22)
InChIKeyTXUOWFABVBBBBJ-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.27
Rot. Bonds3

About 3-(4-fluorophenyl)-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(4-fluorophenyl)-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 155964384) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID155964384
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name3-(4-fluorophenyl)-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC12CCC(O)(CC1)CC2)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C18H21FN2O3/c19-13-3-1-12(2-4-13)14-11-15(24-21-14)16(22)20-17-5-8-18(23,9-6-17)10-7-17/h1-4,15,23H,5-11H2,(H,20,22)
InChIKeyTXUOWFABVBBBBJ-UHFFFAOYSA-N
XLogP2.27
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-fluorophenyl)-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-4,5-dihydro-1,2-oxazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(5R)-N-cyclopropyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29089743
(5R)-N-tert-butyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503766
(5R)-3-(4-fluorophenyl)-N-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29095185
(5R)-N-butyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503762
3-(4-fluorophenyl)-N-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491778
(5S)-3-(4-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7462862
3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095752
(5R)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503725
N-(3-fluoro-4-methylphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491706
(5S)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503726
(5S)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 28855236
(5R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7645639

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 155964384) is 3-(4-fluorophenyl)-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NC12CCC(O)(CC1)CC2)C1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is TXUOWFABVBBBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c19-13-3-1-12(2-4-13)14-11-15(24-21-14)16(22)20-17-5-8-18(23,9-6-17)10-7-17/h1-4,15,23H,5-11H2,(H,20,22).
What are the key properties of 3-(4-fluorophenyl)-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-fluorophenyl)-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 155964384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).