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

C16H21N3OS — CID 106847644

IUPAC[2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
SMILESCCSc1ccc(-c2noc(C3CCCC3CN)n2)cc1
InChIInChI=1S/C16H21N3OS/c1-2-21-13-8-6-11(7-9-13)15-18-16(20-19-15)14-5-3-4-12(14)10-17/h6-9,12,14H,2-5,10,17H2,1H3
InChIKeyDIPADCFTYVJVJZ-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.69
Rot. Bonds5

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

[2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine (PubChem CID 106847644) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is [2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
PubChem CID106847644
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name[2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
SMILESCCSc1ccc(-c2noc(C3CCCC3CN)n2)cc1
InChIInChI=1S/C16H21N3OS/c1-2-21-13-8-6-11(7-9-13)15-18-16(20-19-15)14-5-3-4-12(14)10-17/h6-9,12,14H,2-5,10,17H2,1H3
InChIKeyDIPADCFTYVJVJZ-UHFFFAOYSA-N
XLogP3.69
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 106850054
3-(4-ethylsulfanylphenyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106847582
4-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 106850005
2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106850712
[2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 66071764
2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 106847559
[2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 81273503
5-chloro-3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazole
CID 106849376
2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 96663539
2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 106849964
[2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 82895650
2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 106109420

Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The IUPAC name of [2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine (CID 106847644) is [2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The canonical SMILES for [2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine is CCSc1ccc(-c2noc(C3CCCC3CN)n2)cc1.
What is the InChIKey of [2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The InChIKey is DIPADCFTYVJVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-2-21-13-8-6-11(7-9-13)15-18-16(20-19-15)14-5-3-4-12(14)10-17/h6-9,12,14H,2-5,10,17H2,1H3.
What are the key properties of [2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
[2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine has a molecular weight of 303.43 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine is sourced from PubChem (CID 106847644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).