3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide

C24H25F2N3O3 — CID 29481269

IUPAC3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)CCc1ncc(-c2c(F)cccc2F)o1
InChIInChI=1S/C24H25F2N3O3/c1-28(16-17-5-2-3-8-20(17)29-11-13-31-14-12-29)23(30)10-9-22-27-15-21(32-22)24-18(25)6-4-7-19(24)26/h2-8,15H,9-14,16H2,1H3
InChIKeyUDRXQJXSFOHBFX-UHFFFAOYSA-N
MW441.48 g/mol
LogP4.05
Rot. Bonds7

About 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide (PubChem CID 29481269) has the molecular formula C24H25F2N3O3 and a molecular weight of 441.48 g/mol. Its IUPAC name is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
PubChem CID29481269
Molecular FormulaC24H25F2N3O3
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)CCc1ncc(-c2c(F)cccc2F)o1
InChIInChI=1S/C24H25F2N3O3/c1-28(16-17-5-2-3-8-20(17)29-11-13-31-14-12-29)23(30)10-9-22-27-15-21(32-22)24-18(25)6-4-7-19(24)26/h2-8,15H,9-14,16H2,1H3
InChIKeyUDRXQJXSFOHBFX-UHFFFAOYSA-N
XLogP4.05
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 30533858
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 35437793
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dimethylphenyl)methyl]-N-methylpropanamide
CID 33046155
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 41447893
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-[(5-bromo-2-methoxyphenyl)methyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 38072962
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 17395261
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 55487313
N-methyl-2-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 120703394
N-[(2,4-dimethylphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18168838
N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 55528405

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide?
The IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide (CID 29481269) is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide is CN(Cc1ccccc1N1CCOCC1)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-morpholin-4-ylphenyl)methyl]propanamide?
The InChIKey is UDRXQJXSFOHBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O3/c1-28(16-17-5-2-3-8-20(17)29-11-13-31-14-12-29)23(30)10-9-22-27-15-21(32-22)24-18(25)6-4-7-19(24)26/h2-8,15H,9-14,16H2,1H3.
What are the key properties of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide?
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide has a molecular weight of 441.48 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 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-morpholin-4-ylphenyl)methyl]propanamide is sourced from PubChem (CID 29481269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).