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

C7H12FN3O — CID 106399666

IUPAC3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
SMILESFCCCNCCc1ncno1
InChIInChI=1S/C7H12FN3O/c8-3-1-4-9-5-2-7-10-6-11-12-7/h6,9H,1-5H2
InChIKeyQTJUONDCZBKLIZ-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.56
Rot. Bonds6

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

3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine (PubChem CID 106399666) has the molecular formula C7H12FN3O and a molecular weight of 173.19 g/mol. Its IUPAC name is 3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
PubChem CID106399666
Molecular FormulaC7H12FN3O
Molecular Weight173.19 g/mol
Exact Mass173.10
IUPAC Name3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
SMILESFCCCNCCc1ncno1
InChIInChI=1S/C7H12FN3O/c8-3-1-4-9-5-2-7-10-6-11-12-7/h6,9H,1-5H2
InChIKeyQTJUONDCZBKLIZ-UHFFFAOYSA-N
XLogP0.56
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.56
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

2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 71755598
5-(2-Aminoethyl)-1,2,4-oxadiazol-3-amine
CID 54595504
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine
CID 28924762
N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 61712071
N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82007714
N-ethyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82007972
2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 103744046
2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 103744050
1-[2-(1,2,4-Oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 103744177
2,2,2-trifluoroethyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 103744185
1,1-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 106394517
6,6,6-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]hexan-2-amine
CID 106395177

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of 3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine (CID 106399666) is 3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine is FCCCNCCc1ncno1.
What is the InChIKey of 3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is QTJUONDCZBKLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3O/c8-3-1-4-9-5-2-7-10-6-11-12-7/h6,9H,1-5H2.
What are the key properties of 3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 173.19 g/mol, XLogP of 0.56, 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-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106399666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).