3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)phenyl]propanamide

C20H19F2N3O2 — CID 30875412

IUPAC3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)phenyl]propanamide
SMILESCN(C)c1ccccc1NC(=O)CCc1ncc(-c2c(F)cccc2F)o1
InChIInChI=1S/C20H19F2N3O2/c1-25(2)16-9-4-3-8-15(16)24-18(26)10-11-19-23-12-17(27-19)20-13(21)6-5-7-14(20)22/h3-9,12H,10-11H2,1-2H3,(H,24,26)
InChIKeyDAJAPLXVLKXYRY-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.26
Rot. Bonds6

About 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)phenyl]propanamide

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)phenyl]propanamide (PubChem CID 30875412) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)phenyl]propanamide
PubChem CID30875412
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)phenyl]propanamide
SMILESCN(C)c1ccccc1NC(=O)CCc1ncc(-c2c(F)cccc2F)o1
InChIInChI=1S/C20H19F2N3O2/c1-25(2)16-9-4-3-8-15(16)24-18(26)10-11-19-23-12-17(27-19)20-13(21)6-5-7-14(20)22/h3-9,12H,10-11H2,1-2H3,(H,24,26)
InChIKeyDAJAPLXVLKXYRY-UHFFFAOYSA-N
XLogP4.26
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[2,6-di(propan-2-yl)phenyl]propanamide
CID 46688995
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-4-ylpropanamide
CID 17454266
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-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
CID 51074990
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-phenylpropanamide
CID 29494121
N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 55499098
N-(2-bromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590286
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
CID 16590316
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,2-diphenylethyl)propanamide
CID 46446286
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24626413

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)phenyl]propanamide?
The IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)phenyl]propanamide (CID 30875412) is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)phenyl]propanamide.
What is the SMILES notation for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)phenyl]propanamide?
The canonical SMILES for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)phenyl]propanamide is CN(C)c1ccccc1NC(=O)CCc1ncc(-c2c(F)cccc2F)o1.
What is the InChIKey of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)phenyl]propanamide?
The InChIKey is DAJAPLXVLKXYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-25(2)16-9-4-3-8-15(16)24-18(26)10-11-19-23-12-17(27-19)20-13(21)6-5-7-14(20)22/h3-9,12H,10-11H2,1-2H3,(H,24,26).
What are the key properties of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)phenyl]propanamide?
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)phenyl]propanamide has a molecular weight of 371.39 g/mol, XLogP of 4.26, 6 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-[2-(dimethylamino)phenyl]propanamide is sourced from PubChem (CID 30875412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).