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

C12H12FN3O2 — CID 106388124

IUPAC2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide
SMILESCc1cnc(C(C)NC(=O)c2cccnc2F)o1
InChIInChI=1S/C12H12FN3O2/c1-7-6-15-12(18-7)8(2)16-11(17)9-4-3-5-14-10(9)13/h3-6,8H,1-2H3,(H,16,17)
InChIKeyMSYBYLFRQCPSGA-UHFFFAOYSA-N
MW249.25 g/mol
LogP2.01
Rot. Bonds3

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

2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 106388124) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID106388124
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide
SMILESCc1cnc(C(C)NC(=O)c2cccnc2F)o1
InChIInChI=1S/C12H12FN3O2/c1-7-6-15-12(18-7)8(2)16-11(17)9-4-3-5-14-10(9)13/h3-6,8H,1-2H3,(H,16,17)
InChIKeyMSYBYLFRQCPSGA-UHFFFAOYSA-N
XLogP2.01
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 52.01
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-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide (CID 106388124) is 2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide is Cc1cnc(C(C)NC(=O)c2cccnc2F)o1.
What is the InChIKey of 2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is MSYBYLFRQCPSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-7-6-15-12(18-7)8(2)16-11(17)9-4-3-5-14-10(9)13/h3-6,8H,1-2H3,(H,16,17).
What are the key properties of 2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide?
2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 249.25 g/mol, XLogP of 2.01, 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-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 106388124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).