N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine

C23H27FN4O — CID 126788937

IUPACN-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine
SMILESCCN(Cc1coc(-c2ccc(F)cc2)n1)CC1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H27FN4O/c1-2-27(15-18-10-13-28(14-11-18)22-5-3-4-12-25-22)16-21-17-29-23(26-21)19-6-8-20(24)9-7-19/h3-9,12,17-18H,2,10-11,13-16H2,1H3
InChIKeyNEPARNISLDRDCF-UHFFFAOYSA-N
MW394.49 g/mol
LogP4.61
Rot. Bonds7

About N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine

N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine (PubChem CID 126788937) has the molecular formula C23H27FN4O and a molecular weight of 394.49 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine
PubChem CID126788937
Molecular FormulaC23H27FN4O
Molecular Weight394.49 g/mol
Exact Mass394.22
IUPAC NameN-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine
SMILESCCN(Cc1coc(-c2ccc(F)cc2)n1)CC1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H27FN4O/c1-2-27(15-18-10-13-28(14-11-18)22-5-3-4-12-25-22)16-21-17-29-23(26-21)19-6-8-20(24)9-7-19/h3-9,12,17-18H,2,10-11,13-16H2,1H3
InChIKeyNEPARNISLDRDCF-UHFFFAOYSA-N
XLogP4.61
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine 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

3-[ethyl-[(1-pyridin-2-ylpiperidin-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120982856
N-ethyl-6-fluoro-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]quinazolin-4-amine
CID 133428174
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylazetidin-3-amine
CID 66188313
N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928002
N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide
CID 171335942
2-(4-fluorophenyl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 51076393
N',N'-diethyl-N-(1-pyridin-2-ylpiperidin-4-yl)ethane-1,2-diamine
CID 43761755
3-(4-fluorophenyl)-1-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide
CID 121126886
3-cyclopropyl-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 133428041
N-ethyl-3-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]but-2-enamide
CID 71993309
3-(4-fluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 122175944
N-ethyl-3-propan-2-yl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 133428176

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine?
The IUPAC name of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine (CID 126788937) is N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine is CCN(Cc1coc(-c2ccc(F)cc2)n1)CC1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine?
The InChIKey is NEPARNISLDRDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O/c1-2-27(15-18-10-13-28(14-11-18)22-5-3-4-12-25-22)16-21-17-29-23(26-21)19-6-8-20(24)9-7-19/h3-9,12,17-18H,2,10-11,13-16H2,1H3.
What are the key properties of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine?
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine has a molecular weight of 394.49 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 126788937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).