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

C19H18N4O3 — CID 2034992

IUPAC4-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
SMILESCc1ccccc1-c1noc(CCC(=O)Nc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C19H18N4O3/c1-12-4-2-3-5-15(12)19-22-17(26-23-19)11-10-16(24)21-14-8-6-13(7-9-14)18(20)25/h2-9H,10-11H2,1H3,(H2,20,25)(H,21,24)
InChIKeyHXCZDGRRHVCWAS-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.72
Rot. Bonds6

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

4-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide (PubChem CID 2034992) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
PubChem CID2034992
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name4-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
SMILESCc1ccccc1-c1noc(CCC(=O)Nc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C19H18N4O3/c1-12-4-2-3-5-15(12)19-22-17(26-23-19)11-10-16(24)21-14-8-6-13(7-9-14)18(20)25/h2-9H,10-11H2,1H3,(H2,20,25)(H,21,24)
InChIKeyHXCZDGRRHVCWAS-UHFFFAOYSA-N
XLogP2.72
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide?
The IUPAC name of 4-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide (CID 2034992) is 4-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide.
What is the SMILES notation for 4-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide?
The canonical SMILES for 4-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide is Cc1ccccc1-c1noc(CCC(=O)Nc2ccc(C(N)=O)cc2)n1.
What is the InChIKey of 4-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide?
The InChIKey is HXCZDGRRHVCWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-12-4-2-3-5-15(12)19-22-17(26-23-19)11-10-16(24)21-14-8-6-13(7-9-14)18(20)25/h2-9H,10-11H2,1H3,(H2,20,25)(H,21,24).
What are the key properties of 4-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide?
4-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide has a molecular weight of 350.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide is sourced from PubChem (CID 2034992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).