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

C20H17F3N2O2 — CID 43039223

IUPAC3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1cccc(F)c1)C(=O)CCc1ncc(-c2c(F)cccc2F)o1
InChIInChI=1S/C20H17F3N2O2/c1-25(12-13-4-2-5-14(21)10-13)19(26)9-8-18-24-11-17(27-18)20-15(22)6-3-7-16(20)23/h2-7,10-11H,8-9,12H2,1H3
InChIKeyMIKFCILEIOSSRH-UHFFFAOYSA-N
MW374.36 g/mol
LogP4.35
Rot. Bonds6

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

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide (PubChem CID 43039223) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
PubChem CID43039223
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1cccc(F)c1)C(=O)CCc1ncc(-c2c(F)cccc2F)o1
InChIInChI=1S/C20H17F3N2O2/c1-25(12-13-4-2-5-14(21)10-13)19(26)9-8-18-24-11-17(27-18)20-15(22)6-3-7-16(20)23/h2-7,10-11H,8-9,12H2,1H3
InChIKeyMIKFCILEIOSSRH-UHFFFAOYSA-N
XLogP4.35
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 30533858
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dimethylphenyl)methyl]-N-methylpropanamide
CID 33046155
3-[[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]methyl]benzamide
CID 55920671
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
N-[(4-fluorophenyl)methyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51075029
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 29481269
N-[(3-chlorophenyl)methyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18135934
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 86982425
N-[(2,3-dichlorophenyl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 29415847
N-benzyl-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 29413645
N-[(2,4-dimethylphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18168838

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide (CID 43039223) is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide is CN(Cc1cccc(F)c1)C(=O)CCc1ncc(-c2c(F)cccc2F)o1.
What is the InChIKey of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The InChIKey is MIKFCILEIOSSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c1-25(12-13-4-2-5-14(21)10-13)19(26)9-8-18-24-11-17(27-18)20-15(22)6-3-7-16(20)23/h2-7,10-11H,8-9,12H2,1H3.
What are the key properties of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide has a molecular weight of 374.36 g/mol, XLogP of 4.35, 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-[(3-fluorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 43039223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).