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

C21H21FN2O2 — CID 47025429

IUPAC2-(3-fluorophenyl)-4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
SMILESCOc1cccc(C2CCCN2Cc2coc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C21H21FN2O2/c1-25-19-8-3-5-15(12-19)20-9-4-10-24(20)13-18-14-26-21(23-18)16-6-2-7-17(22)11-16/h2-3,5-8,11-12,14,20H,4,9-10,13H2,1H3
InChIKeyQWYUBEZUODFVGA-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.83
Rot. Bonds5

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

2-(3-fluorophenyl)-4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole (PubChem CID 47025429) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
PubChem CID47025429
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name2-(3-fluorophenyl)-4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
SMILESCOc1cccc(C2CCCN2Cc2coc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C21H21FN2O2/c1-25-19-8-3-5-15(12-19)20-9-4-10-24(20)13-18-14-26-21(23-18)16-6-2-7-17(22)11-16/h2-3,5-8,11-12,14,20H,4,9-10,13H2,1H3
InChIKeyQWYUBEZUODFVGA-UHFFFAOYSA-N
XLogP4.83
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-benzylpyrrolidin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole
CID 47025430
2-(2,4-difluorophenyl)-4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45203290
4-[[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-2-(4-methylphenyl)-1,3-oxazole
CID 51934772
(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
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 120756729
2-(3,4-difluorophenyl)-4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 95570853
1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine
CID 20895836
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
2-(4-fluorophenyl)-4-[[3-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 166360904
2-(3-fluorophenyl)-4-[(2-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 119916620
(2S,5R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,5-dimethylmorpholine
CID 94066350
1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine
CID 23361278

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-(3-fluorophenyl)-4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole (CID 47025429) is 2-(3-fluorophenyl)-4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-(3-fluorophenyl)-4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-(3-fluorophenyl)-4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole is COc1cccc(C2CCCN2Cc2coc(-c3cccc(F)c3)n2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is QWYUBEZUODFVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-25-19-8-3-5-15(12-19)20-9-4-10-24(20)13-18-14-26-21(23-18)16-6-2-7-17(22)11-16/h2-3,5-8,11-12,14,20H,4,9-10,13H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
2-(3-fluorophenyl)-4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 352.41 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 47025429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).