N-[2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]-3-fluoro-4-methylbenzamide

C22H20Cl2FN3O3 — CID 33329663

IUPACN-[2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1F
InChIInChI=1S/C22H20Cl2FN3O3/c1-13-2-3-14(10-18(13)25)22(30)27-9-8-26-20(29)6-7-21-28-12-19(31-21)16-5-4-15(23)11-17(16)24/h2-5,10-12H,6-9H2,1H3,(H,26,29)(H,27,30)
InChIKeyXHLSTMOYHXCLGT-UHFFFAOYSA-N
MW464.32 g/mol
LogP4.57
Rot. Bonds8

About N-[2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]-3-fluoro-4-methylbenzamide

N-[2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]-3-fluoro-4-methylbenzamide (PubChem CID 33329663) has the molecular formula C22H20Cl2FN3O3 and a molecular weight of 464.32 g/mol. Its IUPAC name is N-[2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]-3-fluoro-4-methylbenzamide
PubChem CID33329663
Molecular FormulaC22H20Cl2FN3O3
Molecular Weight464.32 g/mol
Exact Mass463.09
IUPAC NameN-[2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1F
InChIInChI=1S/C22H20Cl2FN3O3/c1-13-2-3-14(10-18(13)25)22(30)27-9-8-26-20(29)6-7-21-28-12-19(31-21)16-5-4-15(23)11-17(16)24/h2-5,10-12H,6-9H2,1H3,(H,26,29)(H,27,30)
InChIKeyXHLSTMOYHXCLGT-UHFFFAOYSA-N
XLogP4.57
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.32
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 17444318
N-[(4-chlorophenyl)methyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590238
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 29416058
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103637
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 16591104
N-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590165
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide;dihydrochloride
CID 120653572
N-[1-(4-chlorophenyl)ethyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 42931318
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]propanamide
CID 29473371
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 30102896
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(2-oxoazepan-1-yl)ethyl]propanamide
CID 39514221
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119501785

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]-3-fluoro-4-methylbenzamide (CID 33329663) is N-[2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NCCNC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1F.
What is the InChIKey of N-[2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]-3-fluoro-4-methylbenzamide?
The InChIKey is XHLSTMOYHXCLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2FN3O3/c1-13-2-3-14(10-18(13)25)22(30)27-9-8-26-20(29)6-7-21-28-12-19(31-21)16-5-4-15(23)11-17(16)24/h2-5,10-12H,6-9H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-[2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]-3-fluoro-4-methylbenzamide?
N-[2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]-3-fluoro-4-methylbenzamide has a molecular weight of 464.32 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 33329663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).