N-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine

C6H10FN3O — CID 106399628

IUPACN-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESFCCNCCc1ncno1
InChIInChI=1S/C6H10FN3O/c7-2-4-8-3-1-6-9-5-10-11-6/h5,8H,1-4H2
InChIKeyNTZXWOSNLNUNDA-UHFFFAOYSA-N
MW159.16 g/mol
LogP0.17
Rot. Bonds5

About N-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine

N-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 106399628) has the molecular formula C6H10FN3O and a molecular weight of 159.16 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID106399628
Molecular FormulaC6H10FN3O
Molecular Weight159.16 g/mol
Exact Mass159.08
IUPAC NameN-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESFCCNCCc1ncno1
InChIInChI=1S/C6H10FN3O/c7-2-4-8-3-1-6-9-5-10-11-6/h5,8H,1-4H2
InChIKeyNTZXWOSNLNUNDA-UHFFFAOYSA-N
XLogP0.17
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 50.17
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 N-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine (CID 106399628) is N-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine is FCCNCCc1ncno1.
What is the InChIKey of N-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is NTZXWOSNLNUNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3O/c7-2-4-8-3-1-6-9-5-10-11-6/h5,8H,1-4H2.
What are the key properties of N-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine?
N-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 159.16 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 106399628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).