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

C15H18FN3OS — CID 66067661

IUPAC1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESNC1(c2nc(CSc3cccc(F)c3)no2)CCCCC1
InChIInChI=1S/C15H18FN3OS/c16-11-5-4-6-12(9-11)21-10-13-18-14(20-19-13)15(17)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10,17H2
InChIKeyLWZUWPJGHKNWRS-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.62
Rot. Bonds4

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

1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 66067661) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID66067661
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC Name1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESNC1(c2nc(CSc3cccc(F)c3)no2)CCCCC1
InChIInChI=1S/C15H18FN3OS/c16-11-5-4-6-12(9-11)21-10-13-18-14(20-19-13)15(17)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10,17H2
InChIKeyLWZUWPJGHKNWRS-UHFFFAOYSA-N
XLogP3.62
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.62
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]cyclohexan-1-amine?
The IUPAC name of 1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 66067661) is 1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is NC1(c2nc(CSc3cccc(F)c3)no2)CCCCC1.
What is the InChIKey of 1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is LWZUWPJGHKNWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS/c16-11-5-4-6-12(9-11)21-10-13-18-14(20-19-13)15(17)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10,17H2.
What are the key properties of 1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 307.39 g/mol, XLogP of 3.62, 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]cyclohexan-1-amine is sourced from PubChem (CID 66067661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).