N-(1-fluoroprop-2-enyl)-1,2-oxazol-3-amine

C6H7FN2O — CID 70384647

IUPACN-(1-fluoroprop-2-enyl)-1,2-oxazol-3-amine
SMILESC=CC(F)Nc1ccon1
InChIInChI=1S/C6H7FN2O/c1-2-5(7)8-6-3-4-10-9-6/h2-5H,1H2,(H,8,9)
InChIKeyQXGKTVAWBLGIGN-UHFFFAOYSA-N
MW142.13 g/mol
LogP1.57
Rot. Bonds3

About N-(1-fluoroprop-2-enyl)-1,2-oxazol-3-amine

N-(1-fluoroprop-2-enyl)-1,2-oxazol-3-amine (PubChem CID 70384647) has the molecular formula C6H7FN2O and a molecular weight of 142.13 g/mol. Its IUPAC name is N-(1-fluoroprop-2-enyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-(1-fluoroprop-2-enyl)-1,2-oxazol-3-amine
PubChem CID70384647
Molecular FormulaC6H7FN2O
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC NameN-(1-fluoroprop-2-enyl)-1,2-oxazol-3-amine
SMILESC=CC(F)Nc1ccon1
InChIInChI=1S/C6H7FN2O/c1-2-5(7)8-6-3-4-10-9-6/h2-5H,1H2,(H,8,9)
InChIKeyQXGKTVAWBLGIGN-UHFFFAOYSA-N
XLogP1.57
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoroprop-2-enyl)-1,2-oxazol-3-amine?
The IUPAC name of N-(1-fluoroprop-2-enyl)-1,2-oxazol-3-amine (CID 70384647) is N-(1-fluoroprop-2-enyl)-1,2-oxazol-3-amine.
What is the SMILES notation for N-(1-fluoroprop-2-enyl)-1,2-oxazol-3-amine?
The canonical SMILES for N-(1-fluoroprop-2-enyl)-1,2-oxazol-3-amine is C=CC(F)Nc1ccon1.
What is the InChIKey of N-(1-fluoroprop-2-enyl)-1,2-oxazol-3-amine?
The InChIKey is QXGKTVAWBLGIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O/c1-2-5(7)8-6-3-4-10-9-6/h2-5H,1H2,(H,8,9).
What are the key properties of N-(1-fluoroprop-2-enyl)-1,2-oxazol-3-amine?
N-(1-fluoroprop-2-enyl)-1,2-oxazol-3-amine has a molecular weight of 142.13 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoroprop-2-enyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 70384647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).