2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-(furan-2-yl)-1,3,4-oxadiazole

C17H15F2N3O2 — CID 75615260

IUPAC2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESFc1ccc(CN2CCC(c3nnc(-c4ccco4)o3)C2)cc1F
InChIInChI=1S/C17H15F2N3O2/c18-13-4-3-11(8-14(13)19)9-22-6-5-12(10-22)16-20-21-17(24-16)15-2-1-7-23-15/h1-4,7-8,12H,5-6,9-10H2
InChIKeyFVOZTQCWYLLKKR-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.60
Rot. Bonds4

About 2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-(furan-2-yl)-1,3,4-oxadiazole

2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-(furan-2-yl)-1,3,4-oxadiazole (PubChem CID 75615260) has the molecular formula C17H15F2N3O2 and a molecular weight of 331.32 g/mol. Its IUPAC name is 2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-(furan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-(furan-2-yl)-1,3,4-oxadiazole
PubChem CID75615260
Molecular FormulaC17H15F2N3O2
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC Name2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESFc1ccc(CN2CCC(c3nnc(-c4ccco4)o3)C2)cc1F
InChIInChI=1S/C17H15F2N3O2/c18-13-4-3-11(8-14(13)19)9-22-6-5-12(10-22)16-20-21-17(24-16)15-2-1-7-23-15/h1-4,7-8,12H,5-6,9-10H2
InChIKeyFVOZTQCWYLLKKR-UHFFFAOYSA-N
XLogP3.60
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-(furan-2-yl)-1,3,4-oxadiazole 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

2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 51137330
2-(furan-2-yl)-5-[(3S)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137269
2-(1-cyclobutylpyrrolidin-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 75615258
2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 75615410
2-phenyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 75615219
1-[(3,4-difluorophenyl)methyl]-N-[4-(furan-2-yl)phenyl]piperidine-3-carboxamide
CID 162659444
1-[(3,4-difluorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine
CID 3650083
4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 75615193
2-(4-chlorophenyl)-5-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137247
2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
CID 75615874
2-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 75615498
2-(2-fluorophenyl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 75615658

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-(furan-2-yl)-1,3,4-oxadiazole (CID 75615260) is 2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-(furan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-(furan-2-yl)-1,3,4-oxadiazole is Fc1ccc(CN2CCC(c3nnc(-c4ccco4)o3)C2)cc1F.
What is the InChIKey of 2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The InChIKey is FVOZTQCWYLLKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2/c18-13-4-3-11(8-14(13)19)9-22-6-5-12(10-22)16-20-21-17(24-16)15-2-1-7-23-15/h1-4,7-8,12H,5-6,9-10H2.
What are the key properties of 2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-(furan-2-yl)-1,3,4-oxadiazole?
2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-(furan-2-yl)-1,3,4-oxadiazole has a molecular weight of 331.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-(furan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 75615260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).