2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide

C11H10FN3O2 — CID 106370703

IUPAC2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCc1cnc(CNC(=O)c2cccnc2F)o1
InChIInChI=1S/C11H10FN3O2/c1-7-5-14-9(17-7)6-15-11(16)8-3-2-4-13-10(8)12/h2-5H,6H2,1H3,(H,15,16)
InChIKeyZKIPKSOTDDFXHN-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.45
Rot. Bonds3

About 2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide

2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 106370703) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
PubChem CID106370703
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCc1cnc(CNC(=O)c2cccnc2F)o1
InChIInChI=1S/C11H10FN3O2/c1-7-5-14-9(17-7)6-15-11(16)8-3-2-4-13-10(8)12/h2-5H,6H2,1H3,(H,15,16)
InChIKeyZKIPKSOTDDFXHN-UHFFFAOYSA-N
XLogP1.45
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.45
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-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide (CID 106370703) is 2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide is Cc1cnc(CNC(=O)c2cccnc2F)o1.
What is the InChIKey of 2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is ZKIPKSOTDDFXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-7-5-14-9(17-7)6-15-11(16)8-3-2-4-13-10(8)12/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide?
2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 235.22 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 106370703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).