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

C9H15FN2O — CID 103893772

IUPAC3-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
SMILESCc1cnc(C(C)NCCCF)o1
InChIInChI=1S/C9H15FN2O/c1-7-6-12-9(13-7)8(2)11-5-3-4-10/h6,8,11H,3-5H2,1-2H3
InChIKeyCBNVARSGVVECEZ-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.99
Rot. Bonds5

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

3-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine (PubChem CID 103893772) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 3-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
PubChem CID103893772
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name3-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
SMILESCc1cnc(C(C)NCCCF)o1
InChIInChI=1S/C9H15FN2O/c1-7-6-12-9(13-7)8(2)11-5-3-4-10/h6,8,11H,3-5H2,1-2H3
InChIKeyCBNVARSGVVECEZ-UHFFFAOYSA-N
XLogP1.99
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.99
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-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of 3-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine (CID 103893772) is 3-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine is Cc1cnc(C(C)NCCCF)o1.
What is the InChIKey of 3-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine?
The InChIKey is CBNVARSGVVECEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-7-6-12-9(13-7)8(2)11-5-3-4-10/h6,8,11H,3-5H2,1-2H3.
What are the key properties of 3-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine?
3-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine has a molecular weight of 186.23 g/mol, XLogP of 1.99, 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-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103893772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).