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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Related Compounds

CID 10427006
CID 10427006
CID 16735158
CID 16735158
CID 2739289
CID 2739289
CID 156519
CID 156519
CID 16638995
CID 16638995
CID 16735350
CID 16735350
CID 16735381
CID 16735381
CID 16735382
CID 16735382
CID 16735384
CID 16735384
CID 16735385
CID 16735385
CID 16735386
CID 16735386
CID 16735619
CID 16735619

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).