N-[[2-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-N-methylprop-2-en-1-amine

C14H15FN2O — CID 166272971

IUPACN-[[2-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-N-methylprop-2-en-1-amine
SMILESC=CCN(C)Cc1ccc(-c2ncco2)cc1F
InChIInChI=1S/C14H15FN2O/c1-3-7-17(2)10-12-5-4-11(9-13(12)15)14-16-6-8-18-14/h3-6,8-9H,1,7,10H2,2H3
InChIKeyIYNUOVNIINTPTE-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.10
Rot. Bonds5

About N-[[2-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-N-methylprop-2-en-1-amine

N-[[2-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-N-methylprop-2-en-1-amine (PubChem CID 166272971) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is N-[[2-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[2-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-N-methylprop-2-en-1-amine
PubChem CID166272971
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC NameN-[[2-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-N-methylprop-2-en-1-amine
SMILESC=CCN(C)Cc1ccc(-c2ncco2)cc1F
InChIInChI=1S/C14H15FN2O/c1-3-7-17(2)10-12-5-4-11(9-13(12)15)14-16-6-8-18-14/h3-6,8-9H,1,7,10H2,2H3
InChIKeyIYNUOVNIINTPTE-UHFFFAOYSA-N
XLogP3.10
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-N-methylprop-2-en-1-amine?
The IUPAC name of N-[[2-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-N-methylprop-2-en-1-amine (CID 166272971) is N-[[2-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for N-[[2-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for N-[[2-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-N-methylprop-2-en-1-amine is C=CCN(C)Cc1ccc(-c2ncco2)cc1F.
What is the InChIKey of N-[[2-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-N-methylprop-2-en-1-amine?
The InChIKey is IYNUOVNIINTPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-3-7-17(2)10-12-5-4-11(9-13(12)15)14-16-6-8-18-14/h3-6,8-9H,1,7,10H2,2H3.
What are the key properties of N-[[2-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-N-methylprop-2-en-1-amine?
N-[[2-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-N-methylprop-2-en-1-amine has a molecular weight of 246.28 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 166272971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).