4-(3-butyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine

C11H19N3O2 — CID 79405959

IUPAC4-(3-butyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine
SMILESCCCCc1noc(C2(C)COCC2N)n1
InChIInChI=1S/C11H19N3O2/c1-3-4-5-9-13-10(16-14-9)11(2)7-15-6-8(11)12/h8H,3-7,12H2,1-2H3
InChIKeySLDRKMFEFMLPFB-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.03
Rot. Bonds4

About 4-(3-butyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine

4-(3-butyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine (PubChem CID 79405959) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(3-butyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine.

Molecular Properties

Compound Name4-(3-butyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine
PubChem CID79405959
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-(3-butyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine
SMILESCCCCc1noc(C2(C)COCC2N)n1
InChIInChI=1S/C11H19N3O2/c1-3-4-5-9-13-10(16-14-9)11(2)7-15-6-8(11)12/h8H,3-7,12H2,1-2H3
InChIKeySLDRKMFEFMLPFB-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-butyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine?
The IUPAC name of 4-(3-butyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine (CID 79405959) is 4-(3-butyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine.
What is the SMILES notation for 4-(3-butyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine?
The canonical SMILES for 4-(3-butyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine is CCCCc1noc(C2(C)COCC2N)n1.
What is the InChIKey of 4-(3-butyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine?
The InChIKey is SLDRKMFEFMLPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-4-5-9-13-10(16-14-9)11(2)7-15-6-8(11)12/h8H,3-7,12H2,1-2H3.
What are the key properties of 4-(3-butyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine?
4-(3-butyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine has a molecular weight of 225.29 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-butyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine is sourced from PubChem (CID 79405959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).