3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-4-ylpropanamide

C17H13F2N3O2 — CID 17454266

IUPAC3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-4-ylpropanamide
SMILESO=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1ccncc1
InChIInChI=1S/C17H13F2N3O2/c18-12-2-1-3-13(19)17(12)14-10-21-16(24-14)5-4-15(23)22-11-6-8-20-9-7-11/h1-3,6-10H,4-5H2,(H,20,22,23)
InChIKeyTVDGZCWLFCFEFT-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.59
Rot. Bonds5

About 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-4-ylpropanamide

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-4-ylpropanamide (PubChem CID 17454266) 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-4-ylpropanamide.

Molecular Properties

Compound Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-4-ylpropanamide
PubChem CID17454266
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-4-ylpropanamide
SMILESO=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1ccncc1
InChIInChI=1S/C17H13F2N3O2/c18-12-2-1-3-13(19)17(12)14-10-21-16(24-14)5-4-15(23)22-11-6-8-20-9-7-11/h1-3,6-10H,4-5H2,(H,20,22,23)
InChIKeyTVDGZCWLFCFEFT-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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Related Compounds

N-(4-acetylphenyl)-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 25399121
N-[4-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]-3-methylbutanamide
CID 33037356
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-4-ylethyl)propanamide
CID 46418774
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 30873277
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 46688995
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide
CID 38736078
4-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 46689015
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
CID 51074990
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)phenyl]propanamide
CID 30875412
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24626413
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 18280238
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,2-diphenylethyl)propanamide
CID 46446286

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-4-ylpropanamide?
The IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-4-ylpropanamide (CID 17454266) is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-4-ylpropanamide?
The canonical SMILES for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-4-ylpropanamide is O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1ccncc1.
What is the InChIKey of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-4-ylpropanamide?
The InChIKey is TVDGZCWLFCFEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c18-12-2-1-3-13(19)17(12)14-10-21-16(24-14)5-4-15(23)22-11-6-8-20-9-7-11/h1-3,6-10H,4-5H2,(H,20,22,23).
What are the key properties of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-4-ylpropanamide?
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-4-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-4-ylpropanamide is sourced from PubChem (CID 17454266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).