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

C12H12FN3O2 — CID 114180172

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide
SMILESCc1nc(CNC(=O)c2cccnc2F)oc1C
InChIInChI=1S/C12H12FN3O2/c1-7-8(2)18-10(16-7)6-15-12(17)9-4-3-5-14-11(9)13/h3-5H,6H2,1-2H3,(H,15,17)
InChIKeyCPUCRBBYIINHNA-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.76
Rot. Bonds3

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide (PubChem CID 114180172) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide
PubChem CID114180172
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide
SMILESCc1nc(CNC(=O)c2cccnc2F)oc1C
InChIInChI=1S/C12H12FN3O2/c1-7-8(2)18-10(16-7)6-15-12(17)9-4-3-5-14-11(9)13/h3-5H,6H2,1-2H3,(H,15,17)
InChIKeyCPUCRBBYIINHNA-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
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-fluoropyridine-3-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide (CID 114180172) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide is Cc1nc(CNC(=O)c2cccnc2F)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide?
The InChIKey is CPUCRBBYIINHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-7-8(2)18-10(16-7)6-15-12(17)9-4-3-5-14-11(9)13/h3-5H,6H2,1-2H3,(H,15,17).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide has a molecular weight of 249.25 g/mol, XLogP of 1.76, 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-fluoropyridine-3-carboxamide is sourced from PubChem (CID 114180172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).