[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate

C17H18N4O5 — CID 71868553

IUPAC[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate
SMILESO=C(COC(=O)CCc1nc(C2CC2)no1)NNC(=O)c1ccccc1
InChIInChI=1S/C17H18N4O5/c22-13(19-20-17(24)12-4-2-1-3-5-12)10-25-15(23)9-8-14-18-16(21-26-14)11-6-7-11/h1-5,11H,6-10H2,(H,19,22)(H,20,24)
InChIKeyXWSTVRKSIOOXEW-UHFFFAOYSA-N
MW358.35 g/mol
LogP0.88
Rot. Bonds7

About [2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate (PubChem CID 71868553) has the molecular formula C17H18N4O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate.

Molecular Properties

Compound Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate
PubChem CID71868553
Molecular FormulaC17H18N4O5
Molecular Weight358.35 g/mol
Exact Mass358.13
IUPAC Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate
SMILESO=C(COC(=O)CCc1nc(C2CC2)no1)NNC(=O)c1ccccc1
InChIInChI=1S/C17H18N4O5/c22-13(19-20-17(24)12-4-2-1-3-5-12)10-25-15(23)9-8-14-18-16(21-26-14)11-6-7-11/h1-5,11H,6-10H2,(H,19,22)(H,20,24)
InChIKeyXWSTVRKSIOOXEW-UHFFFAOYSA-N
XLogP0.88
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetate
CID 75372856
2-(4-fluorophenoxy)ethyl 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate
CID 71868554
[2-(methylamino)-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 46459126
N-(2-amino-2-phenylethyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119528258
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 63346459
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylpentanoate
CID 7848039
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2437119
3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 65409407
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 64982441
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11932785
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate
CID 3881152
2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 65334732

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate?
The IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate (CID 71868553) is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate.
What is the SMILES notation for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate?
The canonical SMILES for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate is O=C(COC(=O)CCc1nc(C2CC2)no1)NNC(=O)c1ccccc1.
What is the InChIKey of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate?
The InChIKey is XWSTVRKSIOOXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5/c22-13(19-20-17(24)12-4-2-1-3-5-12)10-25-15(23)9-8-14-18-16(21-26-14)11-6-7-11/h1-5,11H,6-10H2,(H,19,22)(H,20,24).
What are the key properties of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate?
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate has a molecular weight of 358.35 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate is sourced from PubChem (CID 71868553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).