N-methyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

C11H17N3O3 — CID 66266076

IUPACN-methyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCNC1COCC1c1nc(C2CCCO2)no1
InChIInChI=1S/C11H17N3O3/c1-12-8-6-15-5-7(8)11-13-10(14-17-11)9-3-2-4-16-9/h7-9,12H,2-6H2,1H3
InChIKeyWHZUSSHDRGBLHP-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.62
Rot. Bonds3

About N-methyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

N-methyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 66266076) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-methyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound NameN-methyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID66266076
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-methyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCNC1COCC1c1nc(C2CCCO2)no1
InChIInChI=1S/C11H17N3O3/c1-12-8-6-15-5-7(8)11-13-10(14-17-11)9-3-2-4-16-9/h7-9,12H,2-6H2,1H3
InChIKeyWHZUSSHDRGBLHP-UHFFFAOYSA-N
XLogP0.62
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of N-methyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 66266076) is N-methyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for N-methyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for N-methyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is CNC1COCC1c1nc(C2CCCO2)no1.
What is the InChIKey of N-methyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is WHZUSSHDRGBLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-12-8-6-15-5-7(8)11-13-10(14-17-11)9-3-2-4-16-9/h7-9,12H,2-6H2,1H3.
What are the key properties of N-methyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
N-methyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 239.27 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 66266076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).