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

C10H17N3O2 — CID 60766745

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine
SMILESCc1noc(CNCCC2CCCO2)n1
InChIInChI=1S/C10H17N3O2/c1-8-12-10(15-13-8)7-11-5-4-9-3-2-6-14-9/h9,11H,2-7H2,1H3
InChIKeySDFANDDGKQQLIK-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.04
Rot. Bonds5

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

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine (PubChem CID 60766745) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine
PubChem CID60766745
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine
SMILESCc1noc(CNCCC2CCCO2)n1
InChIInChI=1S/C10H17N3O2/c1-8-12-10(15-13-8)7-11-5-4-9-3-2-6-14-9/h9,11H,2-7H2,1H3
InChIKeySDFANDDGKQQLIK-UHFFFAOYSA-N
XLogP1.04
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine (CID 60766745) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine is Cc1noc(CNCCC2CCCO2)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The InChIKey is SDFANDDGKQQLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8-12-10(15-13-8)7-11-5-4-9-3-2-6-14-9/h9,11H,2-7H2,1H3.
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine has a molecular weight of 211.26 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 60766745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).