3-fluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine

C7H11FN2O — CID 106417442

IUPAC3-fluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine
SMILESFCCCNCc1ccno1
InChIInChI=1S/C7H11FN2O/c8-3-1-4-9-6-7-2-5-10-11-7/h2,5,9H,1,3-4,6H2
InChIKeyYBWVUKXGLHQGQY-UHFFFAOYSA-N
MW158.18 g/mol
LogP1.12
Rot. Bonds5

About 3-fluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine

3-fluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine (PubChem CID 106417442) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is 3-fluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine
PubChem CID106417442
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name3-fluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine
SMILESFCCCNCc1ccno1
InChIInChI=1S/C7H11FN2O/c8-3-1-4-9-6-7-2-5-10-11-7/h2,5,9H,1,3-4,6H2
InChIKeyYBWVUKXGLHQGQY-UHFFFAOYSA-N
XLogP1.12
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-fluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine?
The IUPAC name of 3-fluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine (CID 106417442) is 3-fluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-fluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine?
The canonical SMILES for 3-fluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine is FCCCNCc1ccno1.
What is the InChIKey of 3-fluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine?
The InChIKey is YBWVUKXGLHQGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O/c8-3-1-4-9-6-7-2-5-10-11-7/h2,5,9H,1,3-4,6H2.
What are the key properties of 3-fluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine?
3-fluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine has a molecular weight of 158.18 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 106417442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).