N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-difluoropyridine-4-carboxamide

C12H11F2N3O2 — CID 103337331

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-difluoropyridine-4-carboxamide
SMILESCc1nc(CNC(=O)c2ccnc(F)c2F)oc1C
InChIInChI=1S/C12H11F2N3O2/c1-6-7(2)19-9(17-6)5-16-12(18)8-3-4-15-11(14)10(8)13/h3-4H,5H2,1-2H3,(H,16,18)
InChIKeyFNGGUHPMDXYUCL-UHFFFAOYSA-N
MW267.23 g/mol
LogP1.89
Rot. Bonds3

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-difluoropyridine-4-carboxamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-difluoropyridine-4-carboxamide (PubChem CID 103337331) has the molecular formula C12H11F2N3O2 and a molecular weight of 267.23 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-difluoropyridine-4-carboxamide
PubChem CID103337331
Molecular FormulaC12H11F2N3O2
Molecular Weight267.23 g/mol
Exact Mass267.08
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-difluoropyridine-4-carboxamide
SMILESCc1nc(CNC(=O)c2ccnc(F)c2F)oc1C
InChIInChI=1S/C12H11F2N3O2/c1-6-7(2)19-9(17-6)5-16-12(18)8-3-4-15-11(14)10(8)13/h3-4H,5H2,1-2H3,(H,16,18)
InChIKeyFNGGUHPMDXYUCL-UHFFFAOYSA-N
XLogP1.89
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 51.89
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 N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-difluoropyridine-4-carboxamide (CID 103337331) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-difluoropyridine-4-carboxamide is Cc1nc(CNC(=O)c2ccnc(F)c2F)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-difluoropyridine-4-carboxamide?
The InChIKey is FNGGUHPMDXYUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2/c1-6-7(2)19-9(17-6)5-16-12(18)8-3-4-15-11(14)10(8)13/h3-4H,5H2,1-2H3,(H,16,18).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-difluoropyridine-4-carboxamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-difluoropyridine-4-carboxamide has a molecular weight of 267.23 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 103337331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).