[2-fluoro-5-(1,3-oxazol-4-yl)phenyl]methanamine

C10H9FN2O — CID 115018907

IUPAC[2-fluoro-5-(1,3-oxazol-4-yl)phenyl]methanamine
SMILESNCc1cc(-c2cocn2)ccc1F
InChIInChI=1S/C10H9FN2O/c11-9-2-1-7(3-8(9)4-12)10-5-14-6-13-10/h1-3,5-6H,4,12H2
InChIKeyBYCYDJPSFQUNCW-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.94
Rot. Bonds2

About [2-fluoro-5-(1,3-oxazol-4-yl)phenyl]methanamine

[2-fluoro-5-(1,3-oxazol-4-yl)phenyl]methanamine (PubChem CID 115018907) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is [2-fluoro-5-(1,3-oxazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-5-(1,3-oxazol-4-yl)phenyl]methanamine
PubChem CID115018907
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name[2-fluoro-5-(1,3-oxazol-4-yl)phenyl]methanamine
SMILESNCc1cc(-c2cocn2)ccc1F
InChIInChI=1S/C10H9FN2O/c11-9-2-1-7(3-8(9)4-12)10-5-14-6-13-10/h1-3,5-6H,4,12H2
InChIKeyBYCYDJPSFQUNCW-UHFFFAOYSA-N
XLogP1.94
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-(1,3-oxazol-4-yl)phenyl]methanamine?
The IUPAC name of [2-fluoro-5-(1,3-oxazol-4-yl)phenyl]methanamine (CID 115018907) is [2-fluoro-5-(1,3-oxazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [2-fluoro-5-(1,3-oxazol-4-yl)phenyl]methanamine?
The canonical SMILES for [2-fluoro-5-(1,3-oxazol-4-yl)phenyl]methanamine is NCc1cc(-c2cocn2)ccc1F.
What is the InChIKey of [2-fluoro-5-(1,3-oxazol-4-yl)phenyl]methanamine?
The InChIKey is BYCYDJPSFQUNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c11-9-2-1-7(3-8(9)4-12)10-5-14-6-13-10/h1-3,5-6H,4,12H2.
What are the key properties of [2-fluoro-5-(1,3-oxazol-4-yl)phenyl]methanamine?
[2-fluoro-5-(1,3-oxazol-4-yl)phenyl]methanamine has a molecular weight of 192.19 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-(1,3-oxazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 115018907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).