2-(4-bromophenoxy)-N'-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide

C19H17BrN4O5S — CID 4801262

IUPAC2-(4-bromophenoxy)-N'-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide
SMILESCOc1ccc(-c2nnc(SCC(=O)NNC(=O)COc3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C19H17BrN4O5S/c1-27-14-6-2-12(3-7-14)18-23-24-19(29-18)30-11-17(26)22-21-16(25)10-28-15-8-4-13(20)5-9-15/h2-9H,10-11H2,1H3,(H,21,25)(H,22,26)
InChIKeyUWXLPCLVRJEMBE-UHFFFAOYSA-N
MW493.34 g/mol
LogP2.83
Rot. Bonds8

About 2-(4-bromophenoxy)-N'-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide

2-(4-bromophenoxy)-N'-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide (PubChem CID 4801262) has the molecular formula C19H17BrN4O5S and a molecular weight of 493.34 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N'-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N'-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide
PubChem CID4801262
Molecular FormulaC19H17BrN4O5S
Molecular Weight493.34 g/mol
Exact Mass492.01
IUPAC Name2-(4-bromophenoxy)-N'-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide
SMILESCOc1ccc(-c2nnc(SCC(=O)NNC(=O)COc3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C19H17BrN4O5S/c1-27-14-6-2-12(3-7-14)18-23-24-19(29-18)30-11-17(26)22-21-16(25)10-28-15-8-4-13(20)5-9-15/h2-9H,10-11H2,1H3,(H,21,25)(H,22,26)
InChIKeyUWXLPCLVRJEMBE-UHFFFAOYSA-N
XLogP2.83
TPSA115.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.34
LogP ≤ 52.83
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

N-(3,5-dibromo-2-pyridinyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3522740
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 1311004
N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2710942
N-(4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1112961
N-(5-bromo-2-pyridinyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4260808
N-[2-(4-tert-butylphenoxy)ethyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 55373048
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide
CID 2701885
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7170628
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 4531965
N-(3,4-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2701910
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 1303061
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
CID 36714567

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N'-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide?
The IUPAC name of 2-(4-bromophenoxy)-N'-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide (CID 4801262) is 2-(4-bromophenoxy)-N'-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide.
What is the SMILES notation for 2-(4-bromophenoxy)-N'-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide?
The canonical SMILES for 2-(4-bromophenoxy)-N'-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide is COc1ccc(-c2nnc(SCC(=O)NNC(=O)COc3ccc(Br)cc3)o2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N'-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide?
The InChIKey is UWXLPCLVRJEMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O5S/c1-27-14-6-2-12(3-7-14)18-23-24-19(29-18)30-11-17(26)22-21-16(25)10-28-15-8-4-13(20)5-9-15/h2-9H,10-11H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 2-(4-bromophenoxy)-N'-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide?
2-(4-bromophenoxy)-N'-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide has a molecular weight of 493.34 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N'-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide is sourced from PubChem (CID 4801262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).