2-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine

C10H17N3O — CID 131154498

IUPAC2-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC(CN)c1noc(C2(C)CCC2)n1
InChIInChI=1S/C10H17N3O/c1-7(6-11)8-12-9(14-13-8)10(2)4-3-5-10/h7H,3-6,11H2,1-2H3
InChIKeySMRQRQFYUXRRLF-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.57
Rot. Bonds3

About 2-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine

2-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 131154498) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID131154498
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC(CN)c1noc(C2(C)CCC2)n1
InChIInChI=1S/C10H17N3O/c1-7(6-11)8-12-9(14-13-8)10(2)4-3-5-10/h7H,3-6,11H2,1-2H3
InChIKeySMRQRQFYUXRRLF-UHFFFAOYSA-N
XLogP1.57
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-chloroethyl)-5-(1-methylcyclopentyl)-1,2,4-oxadiazole
CID 102661074
2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62653708
1-[5-(1-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634646
3-(1-chloropropyl)-5-(1-methylcyclohexyl)-1,2,4-oxadiazole
CID 106827745
2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106828748
1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 106828772
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62676276
[5-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine
CID 165491300
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 61292338
3-butan-2-yl-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63718510
2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62652420
1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 106828746

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 2-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 131154498) is 2-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 2-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 2-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CC(CN)c1noc(C2(C)CCC2)n1.
What is the InChIKey of 2-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is SMRQRQFYUXRRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(6-11)8-12-9(14-13-8)10(2)4-3-5-10/h7H,3-6,11H2,1-2H3.
What are the key properties of 2-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
2-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 195.27 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 131154498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).