(5-methyloxolan-2-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine

C11H19N3O2 — CID 82838432

IUPAC(5-methyloxolan-2-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCCCc1nc(C(N)C2CCC(C)O2)no1
InChIInChI=1S/C11H19N3O2/c1-3-4-9-13-11(14-16-9)10(12)8-6-5-7(2)15-8/h7-8,10H,3-6,12H2,1-2H3
InChIKeyHCGDQYQPLZWUSK-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.59
Rot. Bonds4

About (5-methyloxolan-2-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine

(5-methyloxolan-2-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 82838432) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is (5-methyloxolan-2-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-methyloxolan-2-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID82838432
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name(5-methyloxolan-2-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCCCc1nc(C(N)C2CCC(C)O2)no1
InChIInChI=1S/C11H19N3O2/c1-3-4-9-13-11(14-16-9)10(12)8-6-5-7(2)15-8/h7-8,10H,3-6,12H2,1-2H3
InChIKeyHCGDQYQPLZWUSK-UHFFFAOYSA-N
XLogP1.59
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-cyclopropylphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 79980476
1-(5-propyl-1,2,4-oxadiazol-3-yl)butan-1-ol
CID 104704265
phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
CID 54594395
(3,5-difluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 106531793
(5-ethyl-1,2,4-oxadiazol-3-yl)-(oxolan-3-yl)methanamine
CID 43559369
(3,4-dimethylphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43753558
1-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 62653406
2,2-dimethyl-1-[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62715829
1-(5-octyl-1,2,4-oxadiazol-3-yl)butan-1-amine
CID 65428528
2-ethoxy-1-(5-heptyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 113435433
2-amino-2-(5-nonyl-1,2,4-oxadiazol-3-yl)ethanol
CID 104633234
2-ethoxy-1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633999

Frequently Asked Questions

What is the IUPAC name of (5-methyloxolan-2-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (5-methyloxolan-2-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine (CID 82838432) is (5-methyloxolan-2-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (5-methyloxolan-2-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (5-methyloxolan-2-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine is CCCc1nc(C(N)C2CCC(C)O2)no1.
What is the InChIKey of (5-methyloxolan-2-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is HCGDQYQPLZWUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-4-9-13-11(14-16-9)10(12)8-6-5-7(2)15-8/h7-8,10H,3-6,12H2,1-2H3.
What are the key properties of (5-methyloxolan-2-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine?
(5-methyloxolan-2-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 225.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyloxolan-2-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 82838432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).