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

C8H14FN3O — CID 106416479

IUPAC3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
SMILESCc1noc(CCNCCCF)n1
InChIInChI=1S/C8H14FN3O/c1-7-11-8(13-12-7)3-6-10-5-2-4-9/h10H,2-6H2,1H3
InChIKeyONTDVCBLFFTAFE-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.87
Rot. Bonds6

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

3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine (PubChem CID 106416479) has the molecular formula C8H14FN3O and a molecular weight of 187.22 g/mol. Its IUPAC name is 3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
PubChem CID106416479
Molecular FormulaC8H14FN3O
Molecular Weight187.22 g/mol
Exact Mass187.11
IUPAC Name3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
SMILESCc1noc(CCNCCCF)n1
InChIInChI=1S/C8H14FN3O/c1-7-11-8(13-12-7)3-6-10-5-2-4-9/h10H,2-6H2,1H3
InChIKeyONTDVCBLFFTAFE-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

1,4,5,6-Tetrahydro-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidine trifluoroacetate
CID 9838580
5-(3-Ethyl-1,2,4-oxadiazol-5-yl)-1,4,5,6-tetrahydropyrimidine
CID 9815409
CDD-0102 trifluoroacetate
CID 44274500
3-Propan-2-yl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 44457713
5-(Azetidin-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 79316319
5-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1,4,5,6-tetrahydro-pyrimidine; TFA
CID 9838581
2-(3-Methyl-1,2,4-oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 46736056
5-(Azetidin-3-yl)-3-cyclopropyl-1,2,4-oxadiazole hydrochloride
CID 71778975
(5-Ethyl-1,2,4-oxadiazol-3-yl)methanamine
CID 17604983
2-(5-(Propan-2-yl)-1,2,4-oxadiazol-3-yl)ethan-1-amine
CID 17604997
5-Ethyl-N-methyl-1,2,4-oxadiazole-3-methanamine, [(5-Ethyl-1,2,4-oxadiazol-3-yl)methyl](methyl)amine
CID 28063889
5-(Azetidin-3-yl)-3-methyl-1,2,4-oxadiazole hydrochloride
CID 46737146

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of 3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine (CID 106416479) is 3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine is Cc1noc(CCNCCCF)n1.
What is the InChIKey of 3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is ONTDVCBLFFTAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3O/c1-7-11-8(13-12-7)3-6-10-5-2-4-9/h10H,2-6H2,1H3.
What are the key properties of 3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-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-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106416479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).