3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide

C17H13F2N3O2 — CID 29466298

IUPAC3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide
SMILESO=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1ccccn1
InChIInChI=1S/C17H13F2N3O2/c18-11-4-3-5-12(19)17(11)13-10-21-16(24-13)8-7-15(23)22-14-6-1-2-9-20-14/h1-6,9-10H,7-8H2,(H,20,22,23)
InChIKeyJXZUFCTWMFJVSZ-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.59
Rot. Bonds5

About 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide (PubChem CID 29466298) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide
PubChem CID29466298
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide
SMILESO=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1ccccn1
InChIInChI=1S/C17H13F2N3O2/c18-11-4-3-5-12(19)17(11)13-10-21-16(24-13)8-7-15(23)22-14-6-1-2-9-20-14/h1-6,9-10H,7-8H2,(H,20,22,23)
InChIKeyJXZUFCTWMFJVSZ-UHFFFAOYSA-N
XLogP3.59
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide?
The IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide (CID 29466298) is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide?
The canonical SMILES for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide is O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1ccccn1.
What is the InChIKey of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide?
The InChIKey is JXZUFCTWMFJVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c18-11-4-3-5-12(19)17(11)13-10-21-16(24-13)8-7-15(23)22-14-6-1-2-9-20-14/h1-6,9-10H,7-8H2,(H,20,22,23).
What are the key properties of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide?
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide has a molecular weight of 329.31 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 29466298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).