2-(3-bromophenoxy)-N'-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoyl]propanehydrazide

C18H23BrN4O4 — CID 55678624

IUPAC2-(3-bromophenoxy)-N'-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoyl]propanehydrazide
SMILESCC(Oc1cccc(Br)c1)C(=O)NNC(=O)CCc1nc(C(C)(C)C)no1
InChIInChI=1S/C18H23BrN4O4/c1-11(26-13-7-5-6-12(19)10-13)16(25)22-21-14(24)8-9-15-20-17(23-27-15)18(2,3)4/h5-7,10-11H,8-9H2,1-4H3,(H,21,24)(H,22,25)
InChIKeySPGJVINCIYJADB-UHFFFAOYSA-N
MW439.31 g/mol
LogP2.68
Rot. Bonds6

About 2-(3-bromophenoxy)-N'-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoyl]propanehydrazide

2-(3-bromophenoxy)-N'-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoyl]propanehydrazide (PubChem CID 55678624) has the molecular formula C18H23BrN4O4 and a molecular weight of 439.31 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N'-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoyl]propanehydrazide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N'-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoyl]propanehydrazide
PubChem CID55678624
Molecular FormulaC18H23BrN4O4
Molecular Weight439.31 g/mol
Exact Mass438.09
IUPAC Name2-(3-bromophenoxy)-N'-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoyl]propanehydrazide
SMILESCC(Oc1cccc(Br)c1)C(=O)NNC(=O)CCc1nc(C(C)(C)C)no1
InChIInChI=1S/C18H23BrN4O4/c1-11(26-13-7-5-6-12(19)10-13)16(25)22-21-14(24)8-9-15-20-17(23-27-15)18(2,3)4/h5-7,10-11H,8-9H2,1-4H3,(H,21,24)(H,22,25)
InChIKeySPGJVINCIYJADB-UHFFFAOYSA-N
XLogP2.68
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 52.68
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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Related Compounds

2-(3-bromophenoxy)-N'-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]propanehydrazide
CID 46628155
(2R)-2-(3-bromophenoxy)-N'-(3-pyridin-3-ylpropanoyl)propanehydrazide
CID 9154957
N'-[2-(3-bromophenoxy)propanoyl]-4-(4-methoxyphenoxy)butanehydrazide
CID 55347940
N-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 39886363
(2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide
CID 9370776
2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 51161488
N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-4-tert-butylbenzamide
CID 55347760
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[3-(2-methylpropoxy)phenyl]methyl]propanamide
CID 86836663
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
N'-[3-(benzenesulfonyl)propanoyl]-2-(3-bromophenoxy)propanehydrazide
CID 4791447
(2R)-2-(3-bromophenoxy)-N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]propanehydrazide
CID 9154984
(2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
CID 9371143

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N'-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoyl]propanehydrazide?
The IUPAC name of 2-(3-bromophenoxy)-N'-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoyl]propanehydrazide (CID 55678624) is 2-(3-bromophenoxy)-N'-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoyl]propanehydrazide.
What is the SMILES notation for 2-(3-bromophenoxy)-N'-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoyl]propanehydrazide?
The canonical SMILES for 2-(3-bromophenoxy)-N'-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoyl]propanehydrazide is CC(Oc1cccc(Br)c1)C(=O)NNC(=O)CCc1nc(C(C)(C)C)no1.
What is the InChIKey of 2-(3-bromophenoxy)-N'-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoyl]propanehydrazide?
The InChIKey is SPGJVINCIYJADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4O4/c1-11(26-13-7-5-6-12(19)10-13)16(25)22-21-14(24)8-9-15-20-17(23-27-15)18(2,3)4/h5-7,10-11H,8-9H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of 2-(3-bromophenoxy)-N'-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoyl]propanehydrazide?
2-(3-bromophenoxy)-N'-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoyl]propanehydrazide has a molecular weight of 439.31 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N'-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoyl]propanehydrazide is sourced from PubChem (CID 55678624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).