2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-1,3-benzoxazole

C18H17FN2O — CID 133324393

IUPAC2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-1,3-benzoxazole
SMILESCC1CC(c2ccccc2F)N(c2nc3ccccc3o2)C1
InChIInChI=1S/C18H17FN2O/c1-12-10-16(13-6-2-3-7-14(13)19)21(11-12)18-20-15-8-4-5-9-17(15)22-18/h2-9,12,16H,10-11H2,1H3
InChIKeyPEKHRNDSAVXYNW-UHFFFAOYSA-N
MW296.34 g/mol
LogP4.55
Rot. Bonds2

About 2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-1,3-benzoxazole

2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-1,3-benzoxazole (PubChem CID 133324393) has the molecular formula C18H17FN2O and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-1,3-benzoxazole
PubChem CID133324393
Molecular FormulaC18H17FN2O
Molecular Weight296.34 g/mol
Exact Mass296.13
IUPAC Name2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-1,3-benzoxazole
SMILESCC1CC(c2ccccc2F)N(c2nc3ccccc3o2)C1
InChIInChI=1S/C18H17FN2O/c1-12-10-16(13-6-2-3-7-14(13)19)21(11-12)18-20-15-8-4-5-9-17(15)22-18/h2-9,12,16H,10-11H2,1H3
InChIKeyPEKHRNDSAVXYNW-UHFFFAOYSA-N
XLogP4.55
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-benzoxazole
CID 141201489
4-ethyl-6-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-methylpyrimidine
CID 133461341
(3S,6R)-1-(1,3-benzoxazol-2-yl)-6-methylpiperidine-3-carboxamide
CID 94196147
1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol
CID 106673452
1-[2,4-bis(methylsulfonyl)phenyl]-2-(2-fluorophenyl)-4-methylpyrrolidine
CID 133324361
1-(1,3-benzoxazol-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 54895616
3-[4-(1,3-benzoxazol-2-yl)-3-methylpiperazin-1-yl]propanoic acid
CID 154780576
2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1,3-benzoxazole
CID 133330508
2-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 126770624
methyl 2-[4-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]acetate
CID 133324373
[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol
CID 22220871
2-[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]-1,3-benzoxazole
CID 163350522

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-1,3-benzoxazole?
The IUPAC name of 2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-1,3-benzoxazole (CID 133324393) is 2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-1,3-benzoxazole is CC1CC(c2ccccc2F)N(c2nc3ccccc3o2)C1.
What is the InChIKey of 2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-1,3-benzoxazole?
The InChIKey is PEKHRNDSAVXYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-12-10-16(13-6-2-3-7-14(13)19)21(11-12)18-20-15-8-4-5-9-17(15)22-18/h2-9,12,16H,10-11H2,1H3.
What are the key properties of 2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-1,3-benzoxazole?
2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-1,3-benzoxazole has a molecular weight of 296.34 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 133324393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).