N'-(5-bromothiophene-2-carbonyl)-3,5-dimethyl-1,2-oxazole-4-carbohydrazide

C11H10BrN3O3S — CID 9154627

IUPACN'-(5-bromothiophene-2-carbonyl)-3,5-dimethyl-1,2-oxazole-4-carbohydrazide
SMILESCc1noc(C)c1C(=O)NNC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H10BrN3O3S/c1-5-9(6(2)18-15-5)11(17)14-13-10(16)7-3-4-8(12)19-7/h3-4H,1-2H3,(H,13,16)(H,14,17)
InChIKeyOFMLXNRFCFWQGM-UHFFFAOYSA-N
MW344.19 g/mol
LogP2.19
Rot. Bonds2

About N'-(5-bromothiophene-2-carbonyl)-3,5-dimethyl-1,2-oxazole-4-carbohydrazide

N'-(5-bromothiophene-2-carbonyl)-3,5-dimethyl-1,2-oxazole-4-carbohydrazide (PubChem CID 9154627) has the molecular formula C11H10BrN3O3S and a molecular weight of 344.19 g/mol. Its IUPAC name is N'-(5-bromothiophene-2-carbonyl)-3,5-dimethyl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(5-bromothiophene-2-carbonyl)-3,5-dimethyl-1,2-oxazole-4-carbohydrazide
PubChem CID9154627
Molecular FormulaC11H10BrN3O3S
Molecular Weight344.19 g/mol
Exact Mass342.96
IUPAC NameN'-(5-bromothiophene-2-carbonyl)-3,5-dimethyl-1,2-oxazole-4-carbohydrazide
SMILESCc1noc(C)c1C(=O)NNC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H10BrN3O3S/c1-5-9(6(2)18-15-5)11(17)14-13-10(16)7-3-4-8(12)19-7/h3-4H,1-2H3,(H,13,16)(H,14,17)
InChIKeyOFMLXNRFCFWQGM-UHFFFAOYSA-N
XLogP2.19
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.19
LogP ≤ 52.19
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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Related Compounds

N'-(5-bromothiophene-2-carbonyl)-2,4,5-trimethylfuran-3-carbohydrazide
CID 26784732
N'-(5-bromothiophene-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide
CID 31729161
N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 770330
3,5-dimethyl-N'-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]-1,2-oxazole-4-carbohydrazide
CID 9152915
N'-(5-bromothiophene-2-carbonyl)-6-methylpyridine-3-carbohydrazide
CID 32770697
5-bromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide
CID 26662526
N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 28780641
N-(2-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17174295
5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 55821937
N'-(5-bromothiophene-2-carbonyl)-5-nitrothiophene-2-carbohydrazide
CID 26662499
N'-(5-bromothiophene-2-carbonyl)-1-methylpyrazole-4-carbohydrazide
CID 9154765
5-bromo-N'-(4-methoxybenzoyl)thiophene-2-carbohydrazide
CID 26662523

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromothiophene-2-carbonyl)-3,5-dimethyl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of N'-(5-bromothiophene-2-carbonyl)-3,5-dimethyl-1,2-oxazole-4-carbohydrazide (CID 9154627) is N'-(5-bromothiophene-2-carbonyl)-3,5-dimethyl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for N'-(5-bromothiophene-2-carbonyl)-3,5-dimethyl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for N'-(5-bromothiophene-2-carbonyl)-3,5-dimethyl-1,2-oxazole-4-carbohydrazide is Cc1noc(C)c1C(=O)NNC(=O)c1ccc(Br)s1.
What is the InChIKey of N'-(5-bromothiophene-2-carbonyl)-3,5-dimethyl-1,2-oxazole-4-carbohydrazide?
The InChIKey is OFMLXNRFCFWQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O3S/c1-5-9(6(2)18-15-5)11(17)14-13-10(16)7-3-4-8(12)19-7/h3-4H,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N'-(5-bromothiophene-2-carbonyl)-3,5-dimethyl-1,2-oxazole-4-carbohydrazide?
N'-(5-bromothiophene-2-carbonyl)-3,5-dimethyl-1,2-oxazole-4-carbohydrazide has a molecular weight of 344.19 g/mol, XLogP of 2.19, 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)-3,5-dimethyl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 9154627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).