2-[(3-fluorophenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole

C13H14FN3OS — CID 3722561

IUPAC2-[(3-fluorophenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole
SMILESFc1cccc(CSc2nnc(C3CCCN3)o2)c1
InChIInChI=1S/C13H14FN3OS/c14-10-4-1-3-9(7-10)8-19-13-17-16-12(18-13)11-5-2-6-15-11/h1,3-4,7,11,15H,2,5-6,8H2
InChIKeyUGJANUONRDURIV-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.93
Rot. Bonds4

About 2-[(3-fluorophenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole

2-[(3-fluorophenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole (PubChem CID 3722561) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole
PubChem CID3722561
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC Name2-[(3-fluorophenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole
SMILESFc1cccc(CSc2nnc(C3CCCN3)o2)c1
InChIInChI=1S/C13H14FN3OS/c14-10-4-1-3-9(7-10)8-19-13-17-16-12(18-13)11-5-2-6-15-11/h1,3-4,7,11,15H,2,5-6,8H2
InChIKeyUGJANUONRDURIV-UHFFFAOYSA-N
XLogP2.93
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzylsulfanyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 3571196
2-[(4-bromophenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole;hydrochloride
CID 16957787
2-[(4-bromophenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole;hydrochloride
CID 22694256
2-[(4-chlorophenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole;hydron;chloride
CID 665565
2-[(2-chlorophenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole;hydrochloride
CID 16957802
2-[(2,5-dimethylphenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole chloride
CID 53351366
3-[(3-fluorophenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900480
tert-butyl (2R)-2-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate
CID 2044579
N-(2,6-dimethylphenyl)-2-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3928995
N-(2,4-difluorophenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-amine
CID 110456245
3-[(3-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 120893922
2-propan-2-ylsulfanyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 4888633

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole (CID 3722561) is 2-[(3-fluorophenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3-fluorophenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3-fluorophenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole is Fc1cccc(CSc2nnc(C3CCCN3)o2)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
The InChIKey is UGJANUONRDURIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c14-10-4-1-3-9(7-10)8-19-13-17-16-12(18-13)11-5-2-6-15-11/h1,3-4,7,11,15H,2,5-6,8H2.
What are the key properties of 2-[(3-fluorophenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
2-[(3-fluorophenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole has a molecular weight of 279.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 3722561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).