3-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole

C15H17FN2O — CID 172891629

IUPAC3-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCC(c3ccc(F)cc3)C2)no1
InChIInChI=1S/C15H17FN2O/c1-11-8-15(17-19-11)10-18-7-6-13(9-18)12-2-4-14(16)5-3-12/h2-5,8,13H,6-7,9-10H2,1H3
InChIKeyAOGUJCVUOVWXMG-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.11
Rot. Bonds3

About 3-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole

3-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 172891629) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 3-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID172891629
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name3-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCC(c3ccc(F)cc3)C2)no1
InChIInChI=1S/C15H17FN2O/c1-11-8-15(17-19-11)10-18-7-6-13(9-18)12-2-4-14(16)5-3-12/h2-5,8,13H,6-7,9-10H2,1H3
InChIKeyAOGUJCVUOVWXMG-UHFFFAOYSA-N
XLogP3.11
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-tert-butylpyrrolidin-1-yl)methyl]-5-methyl-1,2-oxazole
CID 58235129
1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 62917538
5-ethyl-2-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine
CID 77097083
5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 172891886
5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
CID 77084244
3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole
CID 63872193
3-(3-fluorophenyl)-5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 95275327
1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine
CID 65250257
5-[[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 95313681
5-methyl-3-[(4-methyl-3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
CID 110098343
2-methyl-N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 55081638
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 172891629) is 3-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole is Cc1cc(CN2CCC(c3ccc(F)cc3)C2)no1.
What is the InChIKey of 3-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is AOGUJCVUOVWXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-11-8-15(17-19-11)10-18-7-6-13(9-18)12-2-4-14(16)5-3-12/h2-5,8,13H,6-7,9-10H2,1H3.
What are the key properties of 3-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole?
3-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 260.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 172891629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).