5-[(2-fluoroethylamino)methyl]-1,3-oxazol-2-amine

C6H10FN3O — CID 131206980

IUPAC5-[(2-fluoroethylamino)methyl]-1,3-oxazol-2-amine
SMILESNc1ncc(CNCCF)o1
InChIInChI=1S/C6H10FN3O/c7-1-2-9-3-5-4-10-6(8)11-5/h4,9H,1-3H2,(H2,8,10)
InChIKeySLIOAYWIDVUQMI-UHFFFAOYSA-N
MW159.16 g/mol
LogP0.32
Rot. Bonds4

About 5-[(2-fluoroethylamino)methyl]-1,3-oxazol-2-amine

5-[(2-fluoroethylamino)methyl]-1,3-oxazol-2-amine (PubChem CID 131206980) has the molecular formula C6H10FN3O and a molecular weight of 159.16 g/mol. Its IUPAC name is 5-[(2-fluoroethylamino)methyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-[(2-fluoroethylamino)methyl]-1,3-oxazol-2-amine
PubChem CID131206980
Molecular FormulaC6H10FN3O
Molecular Weight159.16 g/mol
Exact Mass159.08
IUPAC Name5-[(2-fluoroethylamino)methyl]-1,3-oxazol-2-amine
SMILESNc1ncc(CNCCF)o1
InChIInChI=1S/C6H10FN3O/c7-1-2-9-3-5-4-10-6(8)11-5/h4,9H,1-3H2,(H2,8,10)
InChIKeySLIOAYWIDVUQMI-UHFFFAOYSA-N
XLogP0.32
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoroethylamino)methyl]-1,3-oxazol-2-amine?
The IUPAC name of 5-[(2-fluoroethylamino)methyl]-1,3-oxazol-2-amine (CID 131206980) is 5-[(2-fluoroethylamino)methyl]-1,3-oxazol-2-amine.
What is the SMILES notation for 5-[(2-fluoroethylamino)methyl]-1,3-oxazol-2-amine?
The canonical SMILES for 5-[(2-fluoroethylamino)methyl]-1,3-oxazol-2-amine is Nc1ncc(CNCCF)o1.
What is the InChIKey of 5-[(2-fluoroethylamino)methyl]-1,3-oxazol-2-amine?
The InChIKey is SLIOAYWIDVUQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3O/c7-1-2-9-3-5-4-10-6(8)11-5/h4,9H,1-3H2,(H2,8,10).
What are the key properties of 5-[(2-fluoroethylamino)methyl]-1,3-oxazol-2-amine?
5-[(2-fluoroethylamino)methyl]-1,3-oxazol-2-amine has a molecular weight of 159.16 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoroethylamino)methyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 131206980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).