3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine

C9H15N3O — CID 63043501

IUPAC3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
SMILESCc1noc(C2CCCC(N)C2)n1
InChIInChI=1S/C9H15N3O/c1-6-11-9(13-12-6)7-3-2-4-8(10)5-7/h7-8H,2-5,10H2,1H3
InChIKeyFRUPJMQZIFNNQX-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.36
Rot. Bonds1

About 3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine

3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine (PubChem CID 63043501) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
PubChem CID63043501
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
SMILESCc1noc(C2CCCC(N)C2)n1
InChIInChI=1S/C9H15N3O/c1-6-11-9(13-12-6)7-3-2-4-8(10)5-7/h7-8H,2-5,10H2,1H3
InChIKeyFRUPJMQZIFNNQX-UHFFFAOYSA-N
XLogP1.36
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 66033169
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 64981970
2-[5-(3-aminocyclohexyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104826978
CID 162193867
CID 162193867
2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 147477748
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 66031794
3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65134666
3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65331227
3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 81273281
5-[(4S)-azepan-4-yl]-3-methyl-1,2,4-oxadiazole
CID 97179514
3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 103145892
3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 79963704

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine (CID 63043501) is 3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The canonical SMILES for 3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine is Cc1noc(C2CCCC(N)C2)n1.
What is the InChIKey of 3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The InChIKey is FRUPJMQZIFNNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-11-9(13-12-6)7-3-2-4-8(10)5-7/h7-8H,2-5,10H2,1H3.
What are the key properties of 3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine has a molecular weight of 181.24 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 63043501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).