N-ethyl-4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide

C21H20FN3O3 — CID 55802153

IUPACN-ethyl-4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C21H20FN3O3/c1-2-23-21(27)15-5-9-17(10-6-15)25-19(26)11-12-20-24-13-18(28-20)14-3-7-16(22)8-4-14/h3-10,13H,2,11-12H2,1H3,(H,23,27)(H,25,26)
InChIKeyBRNGKMLKKQGXKO-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.80
Rot. Bonds7

About N-ethyl-4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide

N-ethyl-4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide (PubChem CID 55802153) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-ethyl-4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
PubChem CID55802153
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC NameN-ethyl-4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C21H20FN3O3/c1-2-23-21(27)15-5-9-17(10-6-15)25-19(26)11-12-20-24-13-18(28-20)14-3-7-16(22)8-4-14/h3-10,13H,2,11-12H2,1H3,(H,23,27)(H,25,26)
InChIKeyBRNGKMLKKQGXKO-UHFFFAOYSA-N
XLogP3.80
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide
CID 16598099
N-(4-butan-2-ylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16592021
N-(3,4-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590384
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 30257663
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)propanamide
CID 17437982
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41293283
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
CID 16590316
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 78834702
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 30886674
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16593744
N-[4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2,5-dimethoxyphenyl]benzamide
CID 16594505

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide?
The IUPAC name of N-ethyl-4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide (CID 55802153) is N-ethyl-4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide.
What is the SMILES notation for N-ethyl-4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide?
The canonical SMILES for N-ethyl-4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide is CCNC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1.
What is the InChIKey of N-ethyl-4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide?
The InChIKey is BRNGKMLKKQGXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-2-23-21(27)15-5-9-17(10-6-15)25-19(26)11-12-20-24-13-18(28-20)14-3-7-16(22)8-4-14/h3-10,13H,2,11-12H2,1H3,(H,23,27)(H,25,26).
What are the key properties of N-ethyl-4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide?
N-ethyl-4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide has a molecular weight of 381.41 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide is sourced from PubChem (CID 55802153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).