3-[[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]methyl]benzamide

C21H19F2N3O3 — CID 55920671

IUPAC3-[[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]methyl]benzamide
SMILESCN(Cc1cccc(C(N)=O)c1)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C21H19F2N3O3/c1-26(12-13-3-2-4-14(9-13)21(24)28)20(27)8-7-19-25-11-18(29-19)16-6-5-15(22)10-17(16)23/h2-6,9-11H,7-8,12H2,1H3,(H2,24,28)
InChIKeyAGSJOUGZKAFMFB-UHFFFAOYSA-N
MW399.40 g/mol
LogP3.31
Rot. Bonds7

About 3-[[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]methyl]benzamide

3-[[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]methyl]benzamide (PubChem CID 55920671) has the molecular formula C21H19F2N3O3 and a molecular weight of 399.40 g/mol. Its IUPAC name is 3-[[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]methyl]benzamide
PubChem CID55920671
Molecular FormulaC21H19F2N3O3
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC Name3-[[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]methyl]benzamide
SMILESCN(Cc1cccc(C(N)=O)c1)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C21H19F2N3O3/c1-26(12-13-3-2-4-14(9-13)21(24)28)20(27)8-7-19-25-11-18(29-19)16-6-5-15(22)10-17(16)23/h2-6,9-11H,7-8,12H2,1H3,(H2,24,28)
InChIKeyAGSJOUGZKAFMFB-UHFFFAOYSA-N
XLogP3.31
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 43039223
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-(1-phenylethyl)propanamide
CID 51312353
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide
CID 78835275
N-benzyl-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 29413645
N-[(3-chlorophenyl)methyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18135934
N-[(4-fluorophenyl)methyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51075029
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119551955
N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18145565
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 38229038
N-(2-aminoethyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 119383503
(2-fluorophenyl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55486440

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]methyl]benzamide?
The IUPAC name of 3-[[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]methyl]benzamide (CID 55920671) is 3-[[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]methyl]benzamide.
What is the SMILES notation for 3-[[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]methyl]benzamide?
The canonical SMILES for 3-[[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]methyl]benzamide is CN(Cc1cccc(C(N)=O)c1)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1.
What is the InChIKey of 3-[[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]methyl]benzamide?
The InChIKey is AGSJOUGZKAFMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3/c1-26(12-13-3-2-4-14(9-13)21(24)28)20(27)8-7-19-25-11-18(29-19)16-6-5-15(22)10-17(16)23/h2-6,9-11H,7-8,12H2,1H3,(H2,24,28).
What are the key properties of 3-[[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]methyl]benzamide?
3-[[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]methyl]benzamide has a molecular weight of 399.40 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]methyl]benzamide is sourced from PubChem (CID 55920671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).