[2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine

C15H18FN3OS — CID 66071764

IUPAC[2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
SMILESNCC1CCCC1c1nc(CSc2ccc(F)cc2)no1
InChIInChI=1S/C15H18FN3OS/c16-11-4-6-12(7-5-11)21-9-14-18-15(20-19-14)13-3-1-2-10(13)8-17/h4-7,10,13H,1-3,8-9,17H2
InChIKeyIJVCXXMWKULQNT-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.34
Rot. Bonds5

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

[2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine (PubChem CID 66071764) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is [2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
PubChem CID66071764
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC Name[2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
SMILESNCC1CCCC1c1nc(CSc2ccc(F)cc2)no1
InChIInChI=1S/C15H18FN3OS/c16-11-4-6-12(7-5-11)21-9-14-18-15(20-19-14)13-3-1-2-10(13)8-17/h4-7,10,13H,1-3,8-9,17H2
InChIKeyIJVCXXMWKULQNT-UHFFFAOYSA-N
XLogP3.34
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 66071347
[2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 106847644
2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 66064165
4-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine
CID 83192305
[2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 81273503
5-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114351036
2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 115428140
4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66239900
(1S)-1-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 104880552
3-[(4-fluorophenyl)sulfanylmethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 66071556

Frequently Asked Questions

What is the IUPAC name of [2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The IUPAC name of [2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine (CID 66071764) is [2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The canonical SMILES for [2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine is NCC1CCCC1c1nc(CSc2ccc(F)cc2)no1.
What is the InChIKey of [2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The InChIKey is IJVCXXMWKULQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS/c16-11-4-6-12(7-5-11)21-9-14-18-15(20-19-14)13-3-1-2-10(13)8-17/h4-7,10,13H,1-3,8-9,17H2.
What are the key properties of [2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
[2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine has a molecular weight of 307.39 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine is sourced from PubChem (CID 66071764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).