3-[(3-fluorophenyl)sulfanylmethyl]-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole

C14H16FN3OS — CID 66069785

IUPAC3-[(3-fluorophenyl)sulfanylmethyl]-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
SMILESFc1cccc(SCc2noc(CC3CCCN3)n2)c1
InChIInChI=1S/C14H16FN3OS/c15-10-3-1-5-12(7-10)20-9-13-17-14(19-18-13)8-11-4-2-6-16-11/h1,3,5,7,11,16H,2,4,6,8-9H2
InChIKeySLLLWTLKMYPERK-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.80
Rot. Bonds5

About 3-[(3-fluorophenyl)sulfanylmethyl]-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole

3-[(3-fluorophenyl)sulfanylmethyl]-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole (PubChem CID 66069785) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)sulfanylmethyl]-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3-fluorophenyl)sulfanylmethyl]-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
PubChem CID66069785
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name3-[(3-fluorophenyl)sulfanylmethyl]-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
SMILESFc1cccc(SCc2noc(CC3CCCN3)n2)c1
InChIInChI=1S/C14H16FN3OS/c15-10-3-1-5-12(7-10)20-9-13-17-14(19-18-13)8-11-4-2-6-16-11/h1,3,5,7,11,16H,2,4,6,8-9H2
InChIKeySLLLWTLKMYPERK-UHFFFAOYSA-N
XLogP2.80
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-methylphenyl)sulfanylmethyl]-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 66111569
1-cyclopropyl-2-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 66070680
3-(ethylsulfanylmethyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 65130998
3-[(3-methylphenyl)sulfanylmethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 66111966
N-cyclopropyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-amine
CID 66070877
4-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 66069584
2-[[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetonitrile
CID 106525636
3-[(4-fluorophenyl)sulfanylmethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 66071556
N-[[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 66069962
4-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 66073372
3-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106525633
3-propyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371732

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)sulfanylmethyl]-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(3-fluorophenyl)sulfanylmethyl]-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole (CID 66069785) is 3-[(3-fluorophenyl)sulfanylmethyl]-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3-fluorophenyl)sulfanylmethyl]-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3-fluorophenyl)sulfanylmethyl]-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole is Fc1cccc(SCc2noc(CC3CCCN3)n2)c1.
What is the InChIKey of 3-[(3-fluorophenyl)sulfanylmethyl]-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is SLLLWTLKMYPERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c15-10-3-1-5-12(7-10)20-9-13-17-14(19-18-13)8-11-4-2-6-16-11/h1,3,5,7,11,16H,2,4,6,8-9H2.
What are the key properties of 3-[(3-fluorophenyl)sulfanylmethyl]-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole?
3-[(3-fluorophenyl)sulfanylmethyl]-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 293.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)sulfanylmethyl]-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 66069785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).