N'-[2-(4-fluorophenoxy)propanoyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanehydrazide

C18H23FN4O4 — CID 55822078

IUPACN'-[2-(4-fluorophenoxy)propanoyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanehydrazide
SMILESCCCc1noc(CCCC(=O)NNC(=O)C(C)Oc2ccc(F)cc2)n1
InChIInChI=1S/C18H23FN4O4/c1-3-5-15-20-17(27-23-15)7-4-6-16(24)21-22-18(25)12(2)26-14-10-8-13(19)9-11-14/h8-12H,3-7H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyFQFLWVCRLCSBGY-UHFFFAOYSA-N
MW378.40 g/mol
LogP2.10
Rot. Bonds9

About N'-[2-(4-fluorophenoxy)propanoyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanehydrazide

N'-[2-(4-fluorophenoxy)propanoyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanehydrazide (PubChem CID 55822078) has the molecular formula C18H23FN4O4 and a molecular weight of 378.40 g/mol. Its IUPAC name is N'-[2-(4-fluorophenoxy)propanoyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenoxy)propanoyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanehydrazide
PubChem CID55822078
Molecular FormulaC18H23FN4O4
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC NameN'-[2-(4-fluorophenoxy)propanoyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanehydrazide
SMILESCCCc1noc(CCCC(=O)NNC(=O)C(C)Oc2ccc(F)cc2)n1
InChIInChI=1S/C18H23FN4O4/c1-3-5-15-20-17(27-23-15)7-4-6-16(24)21-22-18(25)12(2)26-14-10-8-13(19)9-11-14/h8-12H,3-7H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyFQFLWVCRLCSBGY-UHFFFAOYSA-N
XLogP2.10
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenoxy)propanoyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanehydrazide?
The IUPAC name of N'-[2-(4-fluorophenoxy)propanoyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanehydrazide (CID 55822078) is N'-[2-(4-fluorophenoxy)propanoyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanehydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenoxy)propanoyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanehydrazide?
The canonical SMILES for N'-[2-(4-fluorophenoxy)propanoyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanehydrazide is CCCc1noc(CCCC(=O)NNC(=O)C(C)Oc2ccc(F)cc2)n1.
What is the InChIKey of N'-[2-(4-fluorophenoxy)propanoyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanehydrazide?
The InChIKey is FQFLWVCRLCSBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O4/c1-3-5-15-20-17(27-23-15)7-4-6-16(24)21-22-18(25)12(2)26-14-10-8-13(19)9-11-14/h8-12H,3-7H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(4-fluorophenoxy)propanoyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanehydrazide?
N'-[2-(4-fluorophenoxy)propanoyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanehydrazide has a molecular weight of 378.40 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenoxy)propanoyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanehydrazide is sourced from PubChem (CID 55822078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).