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

C21H20N4O3 — CID 9363150

IUPACN-cyclopropyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C21H20N4O3/c26-18(11-12-19-24-20(25-28-19)14-5-2-1-3-6-14)22-17-8-4-7-15(13-17)21(27)23-16-9-10-16/h1-8,13,16H,9-12H2,(H,22,26)(H,23,27)
InChIKeyDRGRBZHSKCCZCF-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.20
Rot. Bonds7

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

N-cyclopropyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide (PubChem CID 9363150) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
PubChem CID9363150
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-cyclopropyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C21H20N4O3/c26-18(11-12-19-24-20(25-28-19)14-5-2-1-3-6-14)22-17-8-4-7-15(13-17)21(27)23-16-9-10-16/h1-8,13,16H,9-12H2,(H,22,26)(H,23,27)
InChIKeyDRGRBZHSKCCZCF-UHFFFAOYSA-N
XLogP3.20
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.20
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-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The IUPAC name of N-cyclopropyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide (CID 9363150) is N-cyclopropyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide is O=C(CCc1nc(-c2ccccc2)no1)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The InChIKey is DRGRBZHSKCCZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-18(11-12-19-24-20(25-28-19)14-5-2-1-3-6-14)22-17-8-4-7-15(13-17)21(27)23-16-9-10-16/h1-8,13,16H,9-12H2,(H,22,26)(H,23,27).
What are the key properties of N-cyclopropyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
N-cyclopropyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide has a molecular weight of 376.42 g/mol, XLogP of 3.20, 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-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide is sourced from PubChem (CID 9363150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).