5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole

C15H16FN3OS — CID 66071347

IUPAC5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESFc1ccc(SCc2noc(C3CC4CCC3N4)n2)cc1
InChIInChI=1S/C15H16FN3OS/c16-9-1-4-11(5-2-9)21-8-14-18-15(20-19-14)12-7-10-3-6-13(12)17-10/h1-2,4-5,10,12-13,17H,3,6-8H2
InChIKeyJRUJKNJNMUWXML-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.11
Rot. Bonds4

About 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole

5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 66071347) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID66071347
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC Name5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESFc1ccc(SCc2noc(C3CC4CCC3N4)n2)cc1
InChIInChI=1S/C15H16FN3OS/c16-9-1-4-11(5-2-9)21-8-14-18-15(20-19-14)12-7-10-3-6-13(12)17-10/h1-2,4-5,10,12-13,17H,3,6-8H2
InChIKeyJRUJKNJNMUWXML-UHFFFAOYSA-N
XLogP3.11
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 66065535
3-[(4-fluorophenyl)sulfanylmethyl]-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 79372368
[2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 66071764
5-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114351036
4-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine
CID 83192305
2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 66064165
3-[(4-methylphenyl)sulfanylmethyl]-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743508
3-[(4-fluorophenyl)sulfanylmethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 66071556
(1S)-1-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 104880552
5-[1-(azetidin-3-yl)ethyl]-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 116682577
5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(2-methoxybutan-2-yl)-1,2,4-oxadiazole
CID 116740462
cis-(1S,3R)-3-[3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323426

Frequently Asked Questions

What is the IUPAC name of 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole (CID 66071347) is 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole is Fc1ccc(SCc2noc(C3CC4CCC3N4)n2)cc1.
What is the InChIKey of 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is JRUJKNJNMUWXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c16-9-1-4-11(5-2-9)21-8-14-18-15(20-19-14)12-7-10-3-6-13(12)17-10/h1-2,4-5,10,12-13,17H,3,6-8H2.
What are the key properties of 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole?
5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 305.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 66071347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).