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

C21H19FN4O3 — CID 9360652

IUPACN-cyclopropyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
SMILESO=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C21H19FN4O3/c22-15-6-4-13(5-7-15)20-25-19(29-26-20)11-10-18(27)23-17-3-1-2-14(12-17)21(28)24-16-8-9-16/h1-7,12,16H,8-11H2,(H,23,27)(H,24,28)
InChIKeyFMXXVCRZBLSNJJ-UHFFFAOYSA-N
MW394.41 g/mol
LogP3.34
Rot. Bonds7

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

N-cyclopropyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide (PubChem CID 9360652) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
PubChem CID9360652
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC NameN-cyclopropyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
SMILESO=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C21H19FN4O3/c22-15-6-4-13(5-7-15)20-25-19(29-26-20)11-10-18(27)23-17-3-1-2-14(12-17)21(28)24-16-8-9-16/h1-7,12,16H,8-11H2,(H,23,27)(H,24,28)
InChIKeyFMXXVCRZBLSNJJ-UHFFFAOYSA-N
XLogP3.34
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 53.34
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-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide?
The IUPAC name of N-cyclopropyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide (CID 9360652) is N-cyclopropyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide is O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide?
The InChIKey is FMXXVCRZBLSNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3/c22-15-6-4-13(5-7-15)20-25-19(29-26-20)11-10-18(27)23-17-3-1-2-14(12-17)21(28)24-16-8-9-16/h1-7,12,16H,8-11H2,(H,23,27)(H,24,28).
What are the key properties of N-cyclopropyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide?
N-cyclopropyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide has a molecular weight of 394.41 g/mol, XLogP of 3.34, 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-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide is sourced from PubChem (CID 9360652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).