N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-yloxyethanamine

C8H15N3O2 — CID 106398904

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-yloxyethanamine
SMILESCC(C)OCCNCc1ncon1
InChIInChI=1S/C8H15N3O2/c1-7(2)12-4-3-9-5-8-10-6-13-11-8/h6-7,9H,3-5H2,1-2H3
InChIKeyRZFFTPGTVIJMLY-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.58
Rot. Bonds6

About N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-yloxyethanamine

N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-yloxyethanamine (PubChem CID 106398904) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-yloxyethanamine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-yloxyethanamine
PubChem CID106398904
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-yloxyethanamine
SMILESCC(C)OCCNCc1ncon1
InChIInChI=1S/C8H15N3O2/c1-7(2)12-4-3-9-5-8-10-6-13-11-8/h6-7,9H,3-5H2,1-2H3
InChIKeyRZFFTPGTVIJMLY-UHFFFAOYSA-N
XLogP0.58
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.58
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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Related Compounds

2-butoxy-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106398905
1-(4-methylpentan-2-yloxy)-3-(1,2,4-oxadiazol-3-ylmethylamino)propan-2-ol
CID 106399294
3-ethylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine
CID 106394094
2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106399000
N-(2-methoxyethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)propanamide
CID 106399027
1-cyclopropyl-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393050
2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
CID 106398580
N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine
CID 106398647
2-(1,2,4-oxadiazol-3-yl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 106396039
N-(3-methoxypropyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)propanamide
CID 106398768
2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395964
N-(2-ethoxyethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106401056

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-yloxyethanamine?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-yloxyethanamine (CID 106398904) is N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-yloxyethanamine.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-yloxyethanamine?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-yloxyethanamine is CC(C)OCCNCc1ncon1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-yloxyethanamine?
The InChIKey is RZFFTPGTVIJMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-7(2)12-4-3-9-5-8-10-6-13-11-8/h6-7,9H,3-5H2,1-2H3.
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-yloxyethanamine?
N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-yloxyethanamine has a molecular weight of 185.23 g/mol, XLogP of 0.58, 6 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)-2-propan-2-yloxyethanamine is sourced from PubChem (CID 106398904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).