N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide

C20H19ClFN3O2 — CID 55499098

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H19ClFN3O2/c1-25(2)17-8-5-14(21)11-16(17)24-19(26)9-10-20-23-12-18(27-20)13-3-6-15(22)7-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,24,26)
InChIKeyFFTOZXMBDHKOGE-UHFFFAOYSA-N
MW387.84 g/mol
LogP4.77
Rot. Bonds6

About N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide

N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 55499098) has the molecular formula C20H19ClFN3O2 and a molecular weight of 387.84 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID55499098
Molecular FormulaC20H19ClFN3O2
Molecular Weight387.84 g/mol
Exact Mass387.11
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H19ClFN3O2/c1-25(2)17-8-5-14(21)11-16(17)24-19(26)9-10-20-23-12-18(27-20)13-3-6-15(22)7-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,24,26)
InChIKeyFFTOZXMBDHKOGE-UHFFFAOYSA-N
XLogP4.77
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 51511272
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide
CID 46426254
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide
CID 16599585
N-(2,4-dimethylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17438164
N-(3,4-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590384
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
CID 16590316
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide
CID 112807675
N-(5-fluoro-2-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 41356754
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41364701
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)phenyl]propanamide
CID 30875412
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-propoxyphenyl)propanamide
CID 46525988

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 55499098) is N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide is CN(C)c1ccc(Cl)cc1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is FFTOZXMBDHKOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O2/c1-25(2)17-8-5-14(21)11-16(17)24-19(26)9-10-20-23-12-18(27-20)13-3-6-15(22)7-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,24,26).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 387.84 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 55499098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).