4-[3-(1,3-benzoxazol-2-yl)propanoylamino]benzamide

C17H15N3O3 — CID 9404315

IUPAC4-[3-(1,3-benzoxazol-2-yl)propanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCc2nc3ccccc3o2)cc1
InChIInChI=1S/C17H15N3O3/c18-17(22)11-5-7-12(8-6-11)19-15(21)9-10-16-20-13-3-1-2-4-14(13)23-16/h1-8H,9-10H2,(H2,18,22)(H,19,21)
InChIKeyJEQYZOIMBWQGNK-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.50
Rot. Bonds5

About 4-[3-(1,3-benzoxazol-2-yl)propanoylamino]benzamide

4-[3-(1,3-benzoxazol-2-yl)propanoylamino]benzamide (PubChem CID 9404315) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-[3-(1,3-benzoxazol-2-yl)propanoylamino]benzamide.

Molecular Properties

Compound Name4-[3-(1,3-benzoxazol-2-yl)propanoylamino]benzamide
PubChem CID9404315
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name4-[3-(1,3-benzoxazol-2-yl)propanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCc2nc3ccccc3o2)cc1
InChIInChI=1S/C17H15N3O3/c18-17(22)11-5-7-12(8-6-11)19-15(21)9-10-16-20-13-3-1-2-4-14(13)23-16/h1-8H,9-10H2,(H2,18,22)(H,19,21)
InChIKeyJEQYZOIMBWQGNK-UHFFFAOYSA-N
XLogP2.50
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzoxazol-2-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 9404274
3-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)propanamide
CID 9403814
3-(1,3-benzoxazol-2-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 9427692
4-(3-phenylpropanoylamino)benzamide
CID 675903
3-(1,3-benzoxazol-2-yl)propanoic acid
CID 2474218
3-(1,3-benzoxazol-2-yl)-N-[3-(tert-butylsulfamoyl)phenyl]propanamide
CID 9020862
4-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 38767965
(2S)-2-[3-(1,3-benzoxazol-2-yl)propanoylamino]propanoic acid
CID 119238117
4-(3-thiophen-2-ylpropanoylamino)benzamide
CID 8571859
4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 51233758
4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
CID 100759667
N'-[3-(1,3-benzoxazol-2-yl)propanoyl]-3-chlorobenzohydrazide
CID 9428049

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3-benzoxazol-2-yl)propanoylamino]benzamide?
The IUPAC name of 4-[3-(1,3-benzoxazol-2-yl)propanoylamino]benzamide (CID 9404315) is 4-[3-(1,3-benzoxazol-2-yl)propanoylamino]benzamide.
What is the SMILES notation for 4-[3-(1,3-benzoxazol-2-yl)propanoylamino]benzamide?
The canonical SMILES for 4-[3-(1,3-benzoxazol-2-yl)propanoylamino]benzamide is NC(=O)c1ccc(NC(=O)CCc2nc3ccccc3o2)cc1.
What is the InChIKey of 4-[3-(1,3-benzoxazol-2-yl)propanoylamino]benzamide?
The InChIKey is JEQYZOIMBWQGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c18-17(22)11-5-7-12(8-6-11)19-15(21)9-10-16-20-13-3-1-2-4-14(13)23-16/h1-8H,9-10H2,(H2,18,22)(H,19,21).
What are the key properties of 4-[3-(1,3-benzoxazol-2-yl)propanoylamino]benzamide?
4-[3-(1,3-benzoxazol-2-yl)propanoylamino]benzamide has a molecular weight of 309.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,3-benzoxazol-2-yl)propanoylamino]benzamide is sourced from PubChem (CID 9404315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).