N-(1,2,4-oxadiazol-3-ylmethyl)-1-(oxolan-2-yl)methanamine

C8H13N3O2 — CID 106392973

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-1-(oxolan-2-yl)methanamine
SMILESc1nc(CNCC2CCCO2)no1
InChIInChI=1S/C8H13N3O2/c1-2-7(12-3-1)4-9-5-8-10-6-13-11-8/h6-7,9H,1-5H2
InChIKeyJGQAGSVDJVMSPY-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.34
Rot. Bonds4

About N-(1,2,4-oxadiazol-3-ylmethyl)-1-(oxolan-2-yl)methanamine

N-(1,2,4-oxadiazol-3-ylmethyl)-1-(oxolan-2-yl)methanamine (PubChem CID 106392973) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-1-(oxolan-2-yl)methanamine
PubChem CID106392973
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-1-(oxolan-2-yl)methanamine
SMILESc1nc(CNCC2CCCO2)no1
InChIInChI=1S/C8H13N3O2/c1-2-7(12-3-1)4-9-5-8-10-6-13-11-8/h6-7,9H,1-5H2
InChIKeyJGQAGSVDJVMSPY-UHFFFAOYSA-N
XLogP0.34
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1-(oxolan-2-yl)methanamine (CID 106392973) is N-(1,2,4-oxadiazol-3-ylmethyl)-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-1-(oxolan-2-yl)methanamine is c1nc(CNCC2CCCO2)no1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-1-(oxolan-2-yl)methanamine?
The InChIKey is JGQAGSVDJVMSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-7(12-3-1)4-9-5-8-10-6-13-11-8/h6-7,9H,1-5H2.
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-1-(oxolan-2-yl)methanamine?
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(oxolan-2-yl)methanamine has a molecular weight of 183.21 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 106392973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).