3-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine

C8H14FN3O — CID 103790275

IUPAC3-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
SMILESCc1nc(CCNCCCF)no1
InChIInChI=1S/C8H14FN3O/c1-7-11-8(12-13-7)3-6-10-5-2-4-9/h10H,2-6H2,1H3
InChIKeyLRSAIFWSHUEIOO-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.87
Rot. Bonds6

About 3-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine

3-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine (PubChem CID 103790275) has the molecular formula C8H14FN3O and a molecular weight of 187.22 g/mol. Its IUPAC name is 3-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
PubChem CID103790275
Molecular FormulaC8H14FN3O
Molecular Weight187.22 g/mol
Exact Mass187.11
IUPAC Name3-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
SMILESCc1nc(CCNCCCF)no1
InChIInChI=1S/C8H14FN3O/c1-7-11-8(12-13-7)3-6-10-5-2-4-9/h10H,2-6H2,1H3
InChIKeyLRSAIFWSHUEIOO-UHFFFAOYSA-N
XLogP0.87
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanimidamide
CID 106418352
3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]but-3-en-1-amine
CID 106416031
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1,3-oxazol-5-ylmethyl)ethanamine
CID 106413933
2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106415961
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 106415872
ethyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 103714527
4-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-amine
CID 83872807
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 106413859
3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propane-1-sulfonamide
CID 106415621
[4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenyl]methanol
CID 114186023
ethane;(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 143984808
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 113229290

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of 3-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine (CID 103790275) is 3-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine is Cc1nc(CCNCCCF)no1.
What is the InChIKey of 3-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine?
The InChIKey is LRSAIFWSHUEIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3O/c1-7-11-8(12-13-7)3-6-10-5-2-4-9/h10H,2-6H2,1H3.
What are the key properties of 3-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine?
3-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine has a molecular weight of 187.22 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103790275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).