N'-(5-bromothiophene-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide

C10H8BrN3O3S — CID 31729161

IUPACN'-(5-bromothiophene-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(Br)s2)on1
InChIInChI=1S/C10H8BrN3O3S/c1-5-4-6(17-14-5)9(15)12-13-10(16)7-2-3-8(11)18-7/h2-4H,1H3,(H,12,15)(H,13,16)
InChIKeyHWIRQWPFFFHCCW-UHFFFAOYSA-N
MW330.16 g/mol
LogP1.88
Rot. Bonds2

About N'-(5-bromothiophene-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide

N'-(5-bromothiophene-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide (PubChem CID 31729161) has the molecular formula C10H8BrN3O3S and a molecular weight of 330.16 g/mol. Its IUPAC name is N'-(5-bromothiophene-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(5-bromothiophene-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide
PubChem CID31729161
Molecular FormulaC10H8BrN3O3S
Molecular Weight330.16 g/mol
Exact Mass328.95
IUPAC NameN'-(5-bromothiophene-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(Br)s2)on1
InChIInChI=1S/C10H8BrN3O3S/c1-5-4-6(17-14-5)9(15)12-13-10(16)7-2-3-8(11)18-7/h2-4H,1H3,(H,12,15)(H,13,16)
InChIKeyHWIRQWPFFFHCCW-UHFFFAOYSA-N
XLogP1.88
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.16
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-(5-bromothiophene-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide?
The IUPAC name of N'-(5-bromothiophene-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide (CID 31729161) is N'-(5-bromothiophene-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide.
What is the SMILES notation for N'-(5-bromothiophene-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide?
The canonical SMILES for N'-(5-bromothiophene-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2ccc(Br)s2)on1.
What is the InChIKey of N'-(5-bromothiophene-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide?
The InChIKey is HWIRQWPFFFHCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O3S/c1-5-4-6(17-14-5)9(15)12-13-10(16)7-2-3-8(11)18-7/h2-4H,1H3,(H,12,15)(H,13,16).
What are the key properties of N'-(5-bromothiophene-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide?
N'-(5-bromothiophene-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide has a molecular weight of 330.16 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromothiophene-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide is sourced from PubChem (CID 31729161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).