[1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine

C15H21N3OS — CID 115444583

IUPAC[1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine
SMILESCc1cscc1-c1noc(C2(CN)CCCCCC2)n1
InChIInChI=1S/C15H21N3OS/c1-11-8-20-9-12(11)13-17-14(19-18-13)15(10-16)6-4-2-3-5-7-15/h8-9H,2-7,10,16H2,1H3
InChIKeyZTKUOUYEXWIVCQ-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.66
Rot. Bonds3

About [1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine

[1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine (PubChem CID 115444583) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is [1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine
PubChem CID115444583
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name[1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine
SMILESCc1cscc1-c1noc(C2(CN)CCCCCC2)n1
InChIInChI=1S/C15H21N3OS/c1-11-8-20-9-12(11)13-17-14(19-18-13)15(10-16)6-4-2-3-5-7-15/h8-9H,2-7,10,16H2,1H3
InChIKeyZTKUOUYEXWIVCQ-UHFFFAOYSA-N
XLogP3.66
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440192
[1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 107501925
4-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 113280371
[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
CID 115436480
[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 115436512
[1-(7-methyl-1,3-benzoxazol-2-yl)cycloheptyl]methanamine
CID 115444602
[1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
CID 115436510
[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 113311262
[1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 115433782
[1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 116808128
5-[1-(aminomethyl)cycloheptyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790397
[1-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine
CID 115436597

Frequently Asked Questions

What is the IUPAC name of [1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine?
The IUPAC name of [1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine (CID 115444583) is [1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine.
What is the SMILES notation for [1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine?
The canonical SMILES for [1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine is Cc1cscc1-c1noc(C2(CN)CCCCCC2)n1.
What is the InChIKey of [1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine?
The InChIKey is ZTKUOUYEXWIVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-11-8-20-9-12(11)13-17-14(19-18-13)15(10-16)6-4-2-3-5-7-15/h8-9H,2-7,10,16H2,1H3.
What are the key properties of [1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine?
[1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine has a molecular weight of 291.42 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine is sourced from PubChem (CID 115444583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).