N-methoxy-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine

C5H9N3O2 — CID 82594465

IUPACN-methoxy-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
SMILESCONCc1nc(C)no1
InChIInChI=1S/C5H9N3O2/c1-4-7-5(10-8-4)3-6-9-2/h6H,3H2,1-2H3
InChIKeyYIMMWOKRIRHBEK-UHFFFAOYSA-N
MW143.15 g/mol
LogP0.03
Rot. Bonds3

About N-methoxy-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine

N-methoxy-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine (PubChem CID 82594465) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is N-methoxy-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methoxy-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
PubChem CID82594465
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC NameN-methoxy-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
SMILESCONCc1nc(C)no1
InChIInChI=1S/C5H9N3O2/c1-4-7-5(10-8-4)3-6-9-2/h6H,3H2,1-2H3
InChIKeyYIMMWOKRIRHBEK-UHFFFAOYSA-N
XLogP0.03
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine
CID 155238388
N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
CID 165372391
methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 115612439
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 59777410
2-(3-methoxypropoxy)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 103178672
1-[4-(methoxymethyl)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 60977325
4-chloro-6-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazin-2-amine
CID 62859664
2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,2-diamine
CID 103389384
1-(2-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 60719579
2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 62358635
N-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]ethanamine
CID 62337220
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
CID 155439756

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine?
The IUPAC name of N-methoxy-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine (CID 82594465) is N-methoxy-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine.
What is the SMILES notation for N-methoxy-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine?
The canonical SMILES for N-methoxy-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine is CONCc1nc(C)no1.
What is the InChIKey of N-methoxy-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine?
The InChIKey is YIMMWOKRIRHBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-4-7-5(10-8-4)3-6-9-2/h6H,3H2,1-2H3.
What are the key properties of N-methoxy-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine?
N-methoxy-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine has a molecular weight of 143.15 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine is sourced from PubChem (CID 82594465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).