N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,3-thiazol-2-yl)cyclopentan-1-amine

C16H24N4OS — CID 71923338

IUPACN-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
SMILESCC(C)CCc1noc(CNC2(c3nccs3)CCCC2)n1
InChIInChI=1S/C16H24N4OS/c1-12(2)5-6-13-19-14(21-20-13)11-18-16(7-3-4-8-16)15-17-9-10-22-15/h9-10,12,18H,3-8,11H2,1-2H3
InChIKeyMZVFOFUFVSKCGM-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.67
Rot. Bonds7

About N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,3-thiazol-2-yl)cyclopentan-1-amine

N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,3-thiazol-2-yl)cyclopentan-1-amine (PubChem CID 71923338) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,3-thiazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
PubChem CID71923338
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC NameN-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
SMILESCC(C)CCc1noc(CNC2(c3nccs3)CCCC2)n1
InChIInChI=1S/C16H24N4OS/c1-12(2)5-6-13-19-14(21-20-13)11-18-16(7-3-4-8-16)15-17-9-10-22-15/h9-10,12,18H,3-8,11H2,1-2H3
InChIKeyMZVFOFUFVSKCGM-UHFFFAOYSA-N
XLogP3.67
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,3-thiazol-2-yl)cyclopentan-1-amine?
The IUPAC name of N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,3-thiazol-2-yl)cyclopentan-1-amine (CID 71923338) is N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,3-thiazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,3-thiazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,3-thiazol-2-yl)cyclopentan-1-amine is CC(C)CCc1noc(CNC2(c3nccs3)CCCC2)n1.
What is the InChIKey of N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,3-thiazol-2-yl)cyclopentan-1-amine?
The InChIKey is MZVFOFUFVSKCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-12(2)5-6-13-19-14(21-20-13)11-18-16(7-3-4-8-16)15-17-9-10-22-15/h9-10,12,18H,3-8,11H2,1-2H3.
What are the key properties of N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,3-thiazol-2-yl)cyclopentan-1-amine?
N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,3-thiazol-2-yl)cyclopentan-1-amine has a molecular weight of 320.46 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,3-thiazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 71923338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).