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

C14H18FN3OS — CID 66067666

IUPAC2-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(C)(N)c1nc(CSc2cccc(F)c2)no1
InChIInChI=1S/C14H18FN3OS/c1-3-7-14(2,16)13-17-12(18-19-13)9-20-11-6-4-5-10(15)8-11/h4-6,8H,3,7,9,16H2,1-2H3
InChIKeyMGWJYQCDXKJIEI-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.47
Rot. Bonds6

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

2-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 66067666) has the molecular formula C14H18FN3OS and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound Name2-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID66067666
Molecular FormulaC14H18FN3OS
Molecular Weight295.38 g/mol
Exact Mass295.12
IUPAC Name2-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(C)(N)c1nc(CSc2cccc(F)c2)no1
InChIInChI=1S/C14H18FN3OS/c1-3-7-14(2,16)13-17-12(18-19-13)9-20-11-6-4-5-10(15)8-11/h4-6,8H,3,7,9,16H2,1-2H3
InChIKeyMGWJYQCDXKJIEI-UHFFFAOYSA-N
XLogP3.47
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of 2-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 66067666) is 2-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for 2-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for 2-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCCC(C)(N)c1nc(CSc2cccc(F)c2)no1.
What is the InChIKey of 2-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is MGWJYQCDXKJIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3OS/c1-3-7-14(2,16)13-17-12(18-19-13)9-20-11-6-4-5-10(15)8-11/h4-6,8H,3,7,9,16H2,1-2H3.
What are the key properties of 2-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine?
2-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 295.38 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 66067666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).