4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide

C18H15BrN4O3 — CID 100759667

IUPAC4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(Br)cc3)no2)cc1
InChIInChI=1S/C18H15BrN4O3/c19-13-5-1-12(2-6-13)18-22-16(26-23-18)10-9-15(24)21-14-7-3-11(4-8-14)17(20)25/h1-8H,9-10H2,(H2,20,25)(H,21,24)
InChIKeyDQTSJWLOVDWPLE-UHFFFAOYSA-N
MW415.25 g/mol
LogP3.17
Rot. Bonds6

About 4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide

4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide (PubChem CID 100759667) has the molecular formula C18H15BrN4O3 and a molecular weight of 415.25 g/mol. Its IUPAC name is 4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
PubChem CID100759667
Molecular FormulaC18H15BrN4O3
Molecular Weight415.25 g/mol
Exact Mass414.03
IUPAC Name4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(Br)cc3)no2)cc1
InChIInChI=1S/C18H15BrN4O3/c19-13-5-1-12(2-6-13)18-22-16(26-23-18)10-9-15(24)21-14-7-3-11(4-8-14)17(20)25/h1-8H,9-10H2,(H2,20,25)(H,21,24)
InChIKeyDQTSJWLOVDWPLE-UHFFFAOYSA-N
XLogP3.17
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.25
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-chlorophenyl)propanamide
CID 100759437
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenoxyphenyl)propanamide
CID 100759603
4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 51233758
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 100759554
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 3826214
4-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 38767965
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 100763881
N-(4-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762262
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide
CID 100759410
N-(4-fluorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762327
N-(4-chlorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762340

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide?
The IUPAC name of 4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide (CID 100759667) is 4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide.
What is the SMILES notation for 4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide?
The canonical SMILES for 4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide is NC(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(Br)cc3)no2)cc1.
What is the InChIKey of 4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide?
The InChIKey is DQTSJWLOVDWPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O3/c19-13-5-1-12(2-6-13)18-22-16(26-23-18)10-9-15(24)21-14-7-3-11(4-8-14)17(20)25/h1-8H,9-10H2,(H2,20,25)(H,21,24).
What are the key properties of 4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide?
4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide has a molecular weight of 415.25 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide is sourced from PubChem (CID 100759667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).