4-[(2-benzylpyrrolidin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole

C21H21FN2O — CID 47025430

IUPAC4-[(2-benzylpyrrolidin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole
SMILESFc1cccc(-c2nc(CN3CCCC3Cc3ccccc3)co2)c1
InChIInChI=1S/C21H21FN2O/c22-18-9-4-8-17(13-18)21-23-19(15-25-21)14-24-11-5-10-20(24)12-16-6-2-1-3-7-16/h1-4,6-9,13,15,20H,5,10-12,14H2
InChIKeyMDRMNZARSCEVMR-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.69
Rot. Bonds5

About 4-[(2-benzylpyrrolidin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole

4-[(2-benzylpyrrolidin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole (PubChem CID 47025430) has the molecular formula C21H21FN2O and a molecular weight of 336.41 g/mol. Its IUPAC name is 4-[(2-benzylpyrrolidin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[(2-benzylpyrrolidin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole
PubChem CID47025430
Molecular FormulaC21H21FN2O
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC Name4-[(2-benzylpyrrolidin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole
SMILESFc1cccc(-c2nc(CN3CCCC3Cc3ccccc3)co2)c1
InChIInChI=1S/C21H21FN2O/c22-18-9-4-8-17(13-18)21-23-19(15-25-21)14-24-11-5-10-20(24)12-16-6-2-1-3-7-16/h1-4,6-9,13,15,20H,5,10-12,14H2
InChIKeyMDRMNZARSCEVMR-UHFFFAOYSA-N
XLogP4.69
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(2-benzylpyrrolidin-1-yl)methyl]-2-(3-fluorophenyl)-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

Related Compounds

4-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 47064449
2-(3-fluorophenyl)-4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 47025429
[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916281
[1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanol
CID 60768867
1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-amine
CID 65249857
(7aS)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 34062304
1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81496163
2-(3-fluorophenyl)-4-[(2-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 119916620
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 120756729
(2S,5R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,5-dimethylmorpholine
CID 94066350
[3-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119926244
2-(3-chlorophenyl)-4-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 95292925

Frequently Asked Questions

What is the IUPAC name of 4-[(2-benzylpyrrolidin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole?
The IUPAC name of 4-[(2-benzylpyrrolidin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole (CID 47025430) is 4-[(2-benzylpyrrolidin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 4-[(2-benzylpyrrolidin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 4-[(2-benzylpyrrolidin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole is Fc1cccc(-c2nc(CN3CCCC3Cc3ccccc3)co2)c1.
What is the InChIKey of 4-[(2-benzylpyrrolidin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole?
The InChIKey is MDRMNZARSCEVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O/c22-18-9-4-8-17(13-18)21-23-19(15-25-21)14-24-11-5-10-20(24)12-16-6-2-1-3-7-16/h1-4,6-9,13,15,20H,5,10-12,14H2.
What are the key properties of 4-[(2-benzylpyrrolidin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole?
4-[(2-benzylpyrrolidin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole has a molecular weight of 336.41 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-benzylpyrrolidin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 47025430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).