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

C21H20F2N2O2 — CID 30533858

IUPAC3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CN(C)C(=O)CCc1ncc(-c2c(F)cccc2F)o1
InChIInChI=1S/C21H20F2N2O2/c1-14-6-3-4-7-15(14)13-25(2)20(26)11-10-19-24-12-18(27-19)21-16(22)8-5-9-17(21)23/h3-9,12H,10-11,13H2,1-2H3
InChIKeyZVZLEGHZEBWIBE-UHFFFAOYSA-N
MW370.40 g/mol
LogP4.52
Rot. Bonds6

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

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 30533858) has the molecular formula C21H20F2N2O2 and a molecular weight of 370.40 g/mol. Its IUPAC name is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
PubChem CID30533858
Molecular FormulaC21H20F2N2O2
Molecular Weight370.40 g/mol
Exact Mass370.15
IUPAC Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CN(C)C(=O)CCc1ncc(-c2c(F)cccc2F)o1
InChIInChI=1S/C21H20F2N2O2/c1-14-6-3-4-7-15(14)13-25(2)20(26)11-10-19-24-12-18(27-19)21-16(22)8-5-9-17(21)23/h3-9,12H,10-11,13H2,1-2H3
InChIKeyZVZLEGHZEBWIBE-UHFFFAOYSA-N
XLogP4.52
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dimethylphenyl)methyl]-N-methylpropanamide
CID 33046155
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 29481269
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 43039223
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-phenylpropanamide
CID 29494121
N-[(2,4-dimethylphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18168838
N-[(5-bromo-2-methoxyphenyl)methyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 38072962
N-[(2,3-dichlorophenyl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 29415847
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)phenyl]propanamide
CID 30875412
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886027
N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51092081
N-[(5-bromo-2-methoxyphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 29416428
3-(4-fluorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 134049187

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide (CID 30533858) is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide is Cc1ccccc1CN(C)C(=O)CCc1ncc(-c2c(F)cccc2F)o1.
What is the InChIKey of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is ZVZLEGHZEBWIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O2/c1-14-6-3-4-7-15(14)13-25(2)20(26)11-10-19-24-12-18(27-19)21-16(22)8-5-9-17(21)23/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 370.40 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 30533858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).