N-[3-(1,1-difluoroethyl)-5-(1,3-oxazol-5-yl)phenyl]pyridine-2-carboxamide

C17H13F2N3O2 — CID 118873798

IUPACN-[3-(1,1-difluoroethyl)-5-(1,3-oxazol-5-yl)phenyl]pyridine-2-carboxamide
SMILESCC(F)(F)c1cc(NC(=O)c2ccccn2)cc(-c2cnco2)c1
InChIInChI=1S/C17H13F2N3O2/c1-17(18,19)12-6-11(15-9-20-10-24-15)7-13(8-12)22-16(23)14-4-2-3-5-21-14/h2-10H,1H3,(H,22,23)
InChIKeyRMDDPPSYBJSKKM-UHFFFAOYSA-N
MW329.31 g/mol
LogP4.10
Rot. Bonds4

About N-[3-(1,1-difluoroethyl)-5-(1,3-oxazol-5-yl)phenyl]pyridine-2-carboxamide

N-[3-(1,1-difluoroethyl)-5-(1,3-oxazol-5-yl)phenyl]pyridine-2-carboxamide (PubChem CID 118873798) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[3-(1,1-difluoroethyl)-5-(1,3-oxazol-5-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,1-difluoroethyl)-5-(1,3-oxazol-5-yl)phenyl]pyridine-2-carboxamide
PubChem CID118873798
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-[3-(1,1-difluoroethyl)-5-(1,3-oxazol-5-yl)phenyl]pyridine-2-carboxamide
SMILESCC(F)(F)c1cc(NC(=O)c2ccccn2)cc(-c2cnco2)c1
InChIInChI=1S/C17H13F2N3O2/c1-17(18,19)12-6-11(15-9-20-10-24-15)7-13(8-12)22-16(23)14-4-2-3-5-21-14/h2-10H,1H3,(H,22,23)
InChIKeyRMDDPPSYBJSKKM-UHFFFAOYSA-N
XLogP4.10
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-difluoroethyl)-5-(1,3-oxazol-5-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-(1,1-difluoroethyl)-5-(1,3-oxazol-5-yl)phenyl]pyridine-2-carboxamide (CID 118873798) is N-[3-(1,1-difluoroethyl)-5-(1,3-oxazol-5-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(1,1-difluoroethyl)-5-(1,3-oxazol-5-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(1,1-difluoroethyl)-5-(1,3-oxazol-5-yl)phenyl]pyridine-2-carboxamide is CC(F)(F)c1cc(NC(=O)c2ccccn2)cc(-c2cnco2)c1.
What is the InChIKey of N-[3-(1,1-difluoroethyl)-5-(1,3-oxazol-5-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is RMDDPPSYBJSKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c1-17(18,19)12-6-11(15-9-20-10-24-15)7-13(8-12)22-16(23)14-4-2-3-5-21-14/h2-10H,1H3,(H,22,23).
What are the key properties of N-[3-(1,1-difluoroethyl)-5-(1,3-oxazol-5-yl)phenyl]pyridine-2-carboxamide?
N-[3-(1,1-difluoroethyl)-5-(1,3-oxazol-5-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 329.31 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-difluoroethyl)-5-(1,3-oxazol-5-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 118873798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).