2,3-difluoro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-4-carboxamide

C12H11F2N3O2 — CID 105380929

IUPAC2,3-difluoro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-4-carboxamide
SMILESCC(C)c1cc(NC(=O)c2ccnc(F)c2F)on1
InChIInChI=1S/C12H11F2N3O2/c1-6(2)8-5-9(19-17-8)16-12(18)7-3-4-15-11(14)10(7)13/h3-6H,1-2H3,(H,16,18)
InChIKeyURIBFTNVNPUPGD-UHFFFAOYSA-N
MW267.23 g/mol
LogP2.72
Rot. Bonds3

About 2,3-difluoro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-4-carboxamide

2,3-difluoro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-4-carboxamide (PubChem CID 105380929) has the molecular formula C12H11F2N3O2 and a molecular weight of 267.23 g/mol. Its IUPAC name is 2,3-difluoro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-4-carboxamide
PubChem CID105380929
Molecular FormulaC12H11F2N3O2
Molecular Weight267.23 g/mol
Exact Mass267.08
IUPAC Name2,3-difluoro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-4-carboxamide
SMILESCC(C)c1cc(NC(=O)c2ccnc(F)c2F)on1
InChIInChI=1S/C12H11F2N3O2/c1-6(2)8-5-9(19-17-8)16-12(18)7-3-4-15-11(14)10(7)13/h3-6H,1-2H3,(H,16,18)
InChIKeyURIBFTNVNPUPGD-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
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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Related Compounds

5-chloro-2-fluoro-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide
CID 60707770
2-bromo-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide
CID 60659313
N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 89054004
N-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 103585463
2,3-difluoro-N-(4-methylphenyl)pyridine-4-carboxamide
CID 105380183
N-(3,3-dimethylbutan-2-yl)-2,3-difluoropyridine-4-carboxamide
CID 91636239
2,3-difluoro-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide
CID 105380278
N-(2,6-difluorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380320
2,3-difluoro-N-(1-methylcyclopentyl)pyridine-4-carboxamide
CID 105381019
2,3-difluoro-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 105380291
2,3-difluoro-N-quinoxalin-6-ylpyridine-4-carboxamide
CID 105380445
2,3-difluoro-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide
CID 105381162

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-4-carboxamide (CID 105380929) is 2,3-difluoro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-4-carboxamide is CC(C)c1cc(NC(=O)c2ccnc(F)c2F)on1.
What is the InChIKey of 2,3-difluoro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-4-carboxamide?
The InChIKey is URIBFTNVNPUPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2/c1-6(2)8-5-9(19-17-8)16-12(18)7-3-4-15-11(14)10(7)13/h3-6H,1-2H3,(H,16,18).
What are the key properties of 2,3-difluoro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-4-carboxamide?
2,3-difluoro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-4-carboxamide has a molecular weight of 267.23 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 105380929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).