2-fluoro-N-(1,3-oxazol-4-ylmethyl)pyridin-4-amine

C9H8FN3O — CID 131198015

IUPAC2-fluoro-N-(1,3-oxazol-4-ylmethyl)pyridin-4-amine
SMILESFc1cc(NCc2cocn2)ccn1
InChIInChI=1S/C9H8FN3O/c10-9-3-7(1-2-11-9)12-4-8-5-14-6-13-8/h1-3,5-6H,4H2,(H,11,12)
InChIKeyISYUTJSCXPCDAW-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.82
Rot. Bonds3

About 2-fluoro-N-(1,3-oxazol-4-ylmethyl)pyridin-4-amine

2-fluoro-N-(1,3-oxazol-4-ylmethyl)pyridin-4-amine (PubChem CID 131198015) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is 2-fluoro-N-(1,3-oxazol-4-ylmethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-fluoro-N-(1,3-oxazol-4-ylmethyl)pyridin-4-amine
PubChem CID131198015
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name2-fluoro-N-(1,3-oxazol-4-ylmethyl)pyridin-4-amine
SMILESFc1cc(NCc2cocn2)ccn1
InChIInChI=1S/C9H8FN3O/c10-9-3-7(1-2-11-9)12-4-8-5-14-6-13-8/h1-3,5-6H,4H2,(H,11,12)
InChIKeyISYUTJSCXPCDAW-UHFFFAOYSA-N
XLogP1.82
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1,3-oxazol-4-ylmethyl)pyridin-4-amine?
The IUPAC name of 2-fluoro-N-(1,3-oxazol-4-ylmethyl)pyridin-4-amine (CID 131198015) is 2-fluoro-N-(1,3-oxazol-4-ylmethyl)pyridin-4-amine.
What is the SMILES notation for 2-fluoro-N-(1,3-oxazol-4-ylmethyl)pyridin-4-amine?
The canonical SMILES for 2-fluoro-N-(1,3-oxazol-4-ylmethyl)pyridin-4-amine is Fc1cc(NCc2cocn2)ccn1.
What is the InChIKey of 2-fluoro-N-(1,3-oxazol-4-ylmethyl)pyridin-4-amine?
The InChIKey is ISYUTJSCXPCDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c10-9-3-7(1-2-11-9)12-4-8-5-14-6-13-8/h1-3,5-6H,4H2,(H,11,12).
What are the key properties of 2-fluoro-N-(1,3-oxazol-4-ylmethyl)pyridin-4-amine?
2-fluoro-N-(1,3-oxazol-4-ylmethyl)pyridin-4-amine has a molecular weight of 193.18 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1,3-oxazol-4-ylmethyl)pyridin-4-amine is sourced from PubChem (CID 131198015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).