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

C21H20FN3O3 — CID 17481662

IUPACN-ethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)c1
InChIInChI=1S/C21H20FN3O3/c1-2-23-21(27)14-6-5-7-15(12-14)25-19(26)10-11-20-24-13-18(28-20)16-8-3-4-9-17(16)22/h3-9,12-13H,2,10-11H2,1H3,(H,23,27)(H,25,26)
InChIKeyLRXOUSRHUGOOMQ-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.80
Rot. Bonds7

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

N-ethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide (PubChem CID 17481662) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-ethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
PubChem CID17481662
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC NameN-ethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)c1
InChIInChI=1S/C21H20FN3O3/c1-2-23-21(27)14-6-5-7-15(12-14)25-19(26)10-11-20-24-13-18(28-20)16-8-3-4-9-17(16)22/h3-9,12-13H,2,10-11H2,1H3,(H,23,27)(H,25,26)
InChIKeyLRXOUSRHUGOOMQ-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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide?
The IUPAC name of N-ethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide (CID 17481662) is N-ethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide.
What is the SMILES notation for N-ethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide?
The canonical SMILES for N-ethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide is CCNC(=O)c1cccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)c1.
What is the InChIKey of N-ethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide?
The InChIKey is LRXOUSRHUGOOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-2-23-21(27)14-6-5-7-15(12-14)25-19(26)10-11-20-24-13-18(28-20)16-8-3-4-9-17(16)22/h3-9,12-13H,2,10-11H2,1H3,(H,23,27)(H,25,26).
What are the key properties of N-ethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide?
N-ethyl-3-[3-[5-(2-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-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide is sourced from PubChem (CID 17481662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).