N'-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide

C22H26N4O6 — CID 36758356

IUPACN'-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CCc2nc(-c3ccco3)no2)ccc1OCCC(C)C
InChIInChI=1S/C22H26N4O6/c1-14(2)10-12-31-16-7-6-15(13-18(16)29-3)22(28)25-24-19(27)8-9-20-23-21(26-32-20)17-5-4-11-30-17/h4-7,11,13-14H,8-10,12H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyFCVWDUDXBGGBAB-UHFFFAOYSA-N
MW442.47 g/mol
LogP3.16
Rot. Bonds10

About N'-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide

N'-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide (PubChem CID 36758356) has the molecular formula C22H26N4O6 and a molecular weight of 442.47 g/mol. Its IUPAC name is N'-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide
PubChem CID36758356
Molecular FormulaC22H26N4O6
Molecular Weight442.47 g/mol
Exact Mass442.19
IUPAC NameN'-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CCc2nc(-c3ccco3)no2)ccc1OCCC(C)C
InChIInChI=1S/C22H26N4O6/c1-14(2)10-12-31-16-7-6-15(13-18(16)29-3)22(28)25-24-19(27)8-9-20-23-21(26-32-20)17-5-4-11-30-17/h4-7,11,13-14H,8-10,12H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyFCVWDUDXBGGBAB-UHFFFAOYSA-N
XLogP3.16
TPSA128.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
CID 31724259
3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
CID 35694034
4-butoxy-3-methoxy-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
CID 46437778
3-methoxy-4-(3-methylbutoxy)-N'-(3-thiophen-2-ylpropanoyl)benzohydrazide
CID 24553723
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-methoxy-4-(3-methylbutoxy)benzoate
CID 16564672
N-(5-bromo-2-methoxyphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55906686
N'-[3-(3,4-difluorophenyl)propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide
CID 46547389
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]propanamide
CID 55886585
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 42892461
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxypropyl)propanamide
CID 36741660
3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide
CID 24624494
(2S)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid
CID 119238162

Frequently Asked Questions

What is the IUPAC name of N'-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide?
The IUPAC name of N'-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide (CID 36758356) is N'-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide.
What is the SMILES notation for N'-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide?
The canonical SMILES for N'-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide is COc1cc(C(=O)NNC(=O)CCc2nc(-c3ccco3)no2)ccc1OCCC(C)C.
What is the InChIKey of N'-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide?
The InChIKey is FCVWDUDXBGGBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O6/c1-14(2)10-12-31-16-7-6-15(13-18(16)29-3)22(28)25-24-19(27)8-9-20-23-21(26-32-20)17-5-4-11-30-17/h4-7,11,13-14H,8-10,12H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N'-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide?
N'-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide has a molecular weight of 442.47 g/mol, XLogP of 3.16, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide is sourced from PubChem (CID 36758356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).