1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

C14H16FN3OS — CID 66069772

IUPAC1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESNC1(c2nc(CSc3cccc(F)c3)no2)CCCC1
InChIInChI=1S/C14H16FN3OS/c15-10-4-3-5-11(8-10)20-9-12-17-13(19-18-12)14(16)6-1-2-7-14/h3-5,8H,1-2,6-7,9,16H2
InChIKeyBNEOMRZURKOJDA-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.23
Rot. Bonds4

About 1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 66069772) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID66069772
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESNC1(c2nc(CSc3cccc(F)c3)no2)CCCC1
InChIInChI=1S/C14H16FN3OS/c15-10-4-3-5-11(8-10)20-9-12-17-13(19-18-12)14(16)6-1-2-7-14/h3-5,8H,1-2,6-7,9,16H2
InChIKeyBNEOMRZURKOJDA-UHFFFAOYSA-N
XLogP3.23
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of 1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 66069772) is 1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is NC1(c2nc(CSc3cccc(F)c3)no2)CCCC1.
What is the InChIKey of 1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is BNEOMRZURKOJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c15-10-4-3-5-11(8-10)20-9-12-17-13(19-18-12)14(16)6-1-2-7-14/h3-5,8H,1-2,6-7,9,16H2.
What are the key properties of 1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 293.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 66069772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).