N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylpyrrolidin-3-amine;hydrochloride

C17H23ClFN3O — CID 119921783

IUPACN-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylpyrrolidin-3-amine;hydrochloride
SMILESCCCN(Cc1coc(-c2cccc(F)c2)n1)C1CCNC1.Cl
InChIInChI=1S/C17H22FN3O.ClH/c1-2-8-21(16-6-7-19-10-16)11-15-12-22-17(20-15)13-4-3-5-14(18)9-13;/h3-5,9,12,16,19H,2,6-8,10-11H2,1H3;1H
InChIKeyVIRHZKUMYJRXBJ-UHFFFAOYSA-N
MW339.84 g/mol
LogP3.48
Rot. Bonds6

About N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylpyrrolidin-3-amine;hydrochloride

N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylpyrrolidin-3-amine;hydrochloride (PubChem CID 119921783) has the molecular formula C17H23ClFN3O and a molecular weight of 339.84 g/mol. Its IUPAC name is N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylpyrrolidin-3-amine;hydrochloride
PubChem CID119921783
Molecular FormulaC17H23ClFN3O
Molecular Weight339.84 g/mol
Exact Mass339.15
IUPAC NameN-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylpyrrolidin-3-amine;hydrochloride
SMILESCCCN(Cc1coc(-c2cccc(F)c2)n1)C1CCNC1.Cl
InChIInChI=1S/C17H22FN3O.ClH/c1-2-8-21(16-6-7-19-10-16)11-15-12-22-17(20-15)13-4-3-5-14(18)9-13;/h3-5,9,12,16,19H,2,6-8,10-11H2,1H3;1H
InChIKeyVIRHZKUMYJRXBJ-UHFFFAOYSA-N
XLogP3.48
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylpyrrolidin-3-amine;hydrochloride 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

N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine
CID 63637158
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylbutan-2-amine
CID 56662465
N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine
CID 63297902
N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
CID 60806481
N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921538
2-(3-fluorophenyl)-4-[(2-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 119916620
N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-amine
CID 66213906
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119552872
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
N-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921462
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylazetidin-3-amine
CID 66188313
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-propylpyrrolidin-3-amine
CID 63300902

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylpyrrolidin-3-amine;hydrochloride (CID 119921783) is N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylpyrrolidin-3-amine;hydrochloride is CCCN(Cc1coc(-c2cccc(F)c2)n1)C1CCNC1.Cl.
What is the InChIKey of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylpyrrolidin-3-amine;hydrochloride?
The InChIKey is VIRHZKUMYJRXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O.ClH/c1-2-8-21(16-6-7-19-10-16)11-15-12-22-17(20-15)13-4-3-5-14(18)9-13;/h3-5,9,12,16,19H,2,6-8,10-11H2,1H3;1H.
What are the key properties of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylpyrrolidin-3-amine;hydrochloride?
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylpyrrolidin-3-amine;hydrochloride has a molecular weight of 339.84 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119921783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).