3-(4-bromophenyl)-1,2,4-oxadiazole-5-carbohydrazide

C9H7BrN4O2 — CID 139220683

IUPAC3-(4-bromophenyl)-1,2,4-oxadiazole-5-carbohydrazide
SMILESNNC(=O)c1nc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C9H7BrN4O2/c10-6-3-1-5(2-4-6)7-12-9(16-14-7)8(15)13-11/h1-4H,11H2,(H,13,15)
InChIKeyMTZWEIFUPAECGU-UHFFFAOYSA-N
MW283.09 g/mol
LogP1.10
Rot. Bonds2

About 3-(4-bromophenyl)-1,2,4-oxadiazole-5-carbohydrazide

3-(4-bromophenyl)-1,2,4-oxadiazole-5-carbohydrazide (PubChem CID 139220683) has the molecular formula C9H7BrN4O2 and a molecular weight of 283.09 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1,2,4-oxadiazole-5-carbohydrazide.

Molecular Properties

Compound Name3-(4-bromophenyl)-1,2,4-oxadiazole-5-carbohydrazide
PubChem CID139220683
Molecular FormulaC9H7BrN4O2
Molecular Weight283.09 g/mol
Exact Mass281.98
IUPAC Name3-(4-bromophenyl)-1,2,4-oxadiazole-5-carbohydrazide
SMILESNNC(=O)c1nc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C9H7BrN4O2/c10-6-3-1-5(2-4-6)7-12-9(16-14-7)8(15)13-11/h1-4H,11H2,(H,13,15)
InChIKeyMTZWEIFUPAECGU-UHFFFAOYSA-N
XLogP1.10
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carbohydrazide
CID 2744635
N-(2-aminoethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 19576133
N-[2-[[2-(4-bromophenoxy)acetyl]amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 17083178
N-[2-[[2-(4-bromophenoxy)acetyl]amino]ethyl]-3-(4-tert-butylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083627
N-[2-[(2-bromobenzoyl)amino]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083511
2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328461
5-(4-bromophenyl)furan-2-carbohydrazide
CID 4697634
diethyl-[2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carbonyl]amino]ethyl]azanium
CID 7343077
1-(4-bromophenyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46361356
1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 63344754
3-(4-fluorophenyl)-N-[(2R)-2-hydroxypropyl]-1,2,4-oxadiazole-5-carboxamide
CID 42534811
ethyl 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate
CID 79472004

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1,2,4-oxadiazole-5-carbohydrazide?
The IUPAC name of 3-(4-bromophenyl)-1,2,4-oxadiazole-5-carbohydrazide (CID 139220683) is 3-(4-bromophenyl)-1,2,4-oxadiazole-5-carbohydrazide.
What is the SMILES notation for 3-(4-bromophenyl)-1,2,4-oxadiazole-5-carbohydrazide?
The canonical SMILES for 3-(4-bromophenyl)-1,2,4-oxadiazole-5-carbohydrazide is NNC(=O)c1nc(-c2ccc(Br)cc2)no1.
What is the InChIKey of 3-(4-bromophenyl)-1,2,4-oxadiazole-5-carbohydrazide?
The InChIKey is MTZWEIFUPAECGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O2/c10-6-3-1-5(2-4-6)7-12-9(16-14-7)8(15)13-11/h1-4H,11H2,(H,13,15).
What are the key properties of 3-(4-bromophenyl)-1,2,4-oxadiazole-5-carbohydrazide?
3-(4-bromophenyl)-1,2,4-oxadiazole-5-carbohydrazide has a molecular weight of 283.09 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1,2,4-oxadiazole-5-carbohydrazide is sourced from PubChem (CID 139220683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).