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

C10H17N3O2 — CID 75504704

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCc1nc(CNC(C)C2CCCO2)no1
InChIInChI=1S/C10H17N3O2/c1-7(9-4-3-5-14-9)11-6-10-12-8(2)15-13-10/h7,9,11H,3-6H2,1-2H3
InChIKeyUYOUEGYQKPVCAR-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.04
Rot. Bonds4

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

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 75504704) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
PubChem CID75504704
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCc1nc(CNC(C)C2CCCO2)no1
InChIInChI=1S/C10H17N3O2/c1-7(9-4-3-5-14-9)11-6-10-12-8(2)15-13-10/h7,9,11H,3-6H2,1-2H3
InChIKeyUYOUEGYQKPVCAR-UHFFFAOYSA-N
XLogP1.04
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine (CID 75504704) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine is Cc1nc(CNC(C)C2CCCO2)no1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is UYOUEGYQKPVCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(9-4-3-5-14-9)11-6-10-12-8(2)15-13-10/h7,9,11H,3-6H2,1-2H3.
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 211.26 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 75504704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).