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

C12H12FN3O2 — CID 106370659

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide
SMILESCCc1cnc(CNC(=O)c2cccnc2F)o1
InChIInChI=1S/C12H12FN3O2/c1-2-8-6-15-10(18-8)7-16-12(17)9-4-3-5-14-11(9)13/h3-6H,2,7H2,1H3,(H,16,17)
InChIKeyPNAMKMAPDDGCSW-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.70
Rot. Bonds4

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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide (PubChem CID 106370659) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide
PubChem CID106370659
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide
SMILESCCc1cnc(CNC(=O)c2cccnc2F)o1
InChIInChI=1S/C12H12FN3O2/c1-2-8-6-15-10(18-8)7-16-12(17)9-4-3-5-14-11(9)13/h3-6H,2,7H2,1H3,(H,16,17)
InChIKeyPNAMKMAPDDGCSW-UHFFFAOYSA-N
XLogP1.70
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide (CID 106370659) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide is CCc1cnc(CNC(=O)c2cccnc2F)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide?
The InChIKey is PNAMKMAPDDGCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-2-8-6-15-10(18-8)7-16-12(17)9-4-3-5-14-11(9)13/h3-6H,2,7H2,1H3,(H,16,17).
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide has a molecular weight of 249.25 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide is sourced from PubChem (CID 106370659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).