[5-[(2-fluorophenyl)methyl]-1,2-oxazol-4-yl]methanamine

C11H11FN2O — CID 112709102

IUPAC[5-[(2-fluorophenyl)methyl]-1,2-oxazol-4-yl]methanamine
SMILESNCc1cnoc1Cc1ccccc1F
InChIInChI=1S/C11H11FN2O/c12-10-4-2-1-3-8(10)5-11-9(6-13)7-14-15-11/h1-4,7H,5-6,13H2
InChIKeyKBGJVWYILQWEQT-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.86
Rot. Bonds3

About [5-[(2-fluorophenyl)methyl]-1,2-oxazol-4-yl]methanamine

[5-[(2-fluorophenyl)methyl]-1,2-oxazol-4-yl]methanamine (PubChem CID 112709102) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is [5-[(2-fluorophenyl)methyl]-1,2-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-[(2-fluorophenyl)methyl]-1,2-oxazol-4-yl]methanamine
PubChem CID112709102
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name[5-[(2-fluorophenyl)methyl]-1,2-oxazol-4-yl]methanamine
SMILESNCc1cnoc1Cc1ccccc1F
InChIInChI=1S/C11H11FN2O/c12-10-4-2-1-3-8(10)5-11-9(6-13)7-14-15-11/h1-4,7H,5-6,13H2
InChIKeyKBGJVWYILQWEQT-UHFFFAOYSA-N
XLogP1.86
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-fluorophenyl)methyl]-1,2-oxazol-4-yl]methanamine?
The IUPAC name of [5-[(2-fluorophenyl)methyl]-1,2-oxazol-4-yl]methanamine (CID 112709102) is [5-[(2-fluorophenyl)methyl]-1,2-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-[(2-fluorophenyl)methyl]-1,2-oxazol-4-yl]methanamine?
The canonical SMILES for [5-[(2-fluorophenyl)methyl]-1,2-oxazol-4-yl]methanamine is NCc1cnoc1Cc1ccccc1F.
What is the InChIKey of [5-[(2-fluorophenyl)methyl]-1,2-oxazol-4-yl]methanamine?
The InChIKey is KBGJVWYILQWEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c12-10-4-2-1-3-8(10)5-11-9(6-13)7-14-15-11/h1-4,7H,5-6,13H2.
What are the key properties of [5-[(2-fluorophenyl)methyl]-1,2-oxazol-4-yl]methanamine?
[5-[(2-fluorophenyl)methyl]-1,2-oxazol-4-yl]methanamine has a molecular weight of 206.22 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-fluorophenyl)methyl]-1,2-oxazol-4-yl]methanamine is sourced from PubChem (CID 112709102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).