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

C22H22N4O3 — CID 9206803

IUPACN-cyclopropyl-3-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
SMILESCc1ccc(-c2noc(CCC(=O)Nc3cccc(C(=O)NC4CC4)c3)n2)cc1
InChIInChI=1S/C22H22N4O3/c1-14-5-7-15(8-6-14)21-25-20(29-26-21)12-11-19(27)23-18-4-2-3-16(13-18)22(28)24-17-9-10-17/h2-8,13,17H,9-12H2,1H3,(H,23,27)(H,24,28)
InChIKeyKFKIYYHUJNFYFM-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.51
Rot. Bonds7

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

N-cyclopropyl-3-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide (PubChem CID 9206803) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
PubChem CID9206803
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-cyclopropyl-3-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
SMILESCc1ccc(-c2noc(CCC(=O)Nc3cccc(C(=O)NC4CC4)c3)n2)cc1
InChIInChI=1S/C22H22N4O3/c1-14-5-7-15(8-6-14)21-25-20(29-26-21)12-11-19(27)23-18-4-2-3-16(13-18)22(28)24-17-9-10-17/h2-8,13,17H,9-12H2,1H3,(H,23,27)(H,24,28)
InChIKeyKFKIYYHUJNFYFM-UHFFFAOYSA-N
XLogP3.51
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide?
The IUPAC name of N-cyclopropyl-3-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide (CID 9206803) is N-cyclopropyl-3-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide is Cc1ccc(-c2noc(CCC(=O)Nc3cccc(C(=O)NC4CC4)c3)n2)cc1.
What is the InChIKey of N-cyclopropyl-3-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide?
The InChIKey is KFKIYYHUJNFYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-14-5-7-15(8-6-14)21-25-20(29-26-21)12-11-19(27)23-18-4-2-3-16(13-18)22(28)24-17-9-10-17/h2-8,13,17H,9-12H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N-cyclopropyl-3-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide?
N-cyclopropyl-3-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide has a molecular weight of 390.44 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide is sourced from PubChem (CID 9206803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).