N'-(4-bromo-1H-pyrrole-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide

C10H9BrN4O3 — CID 31598667

IUPACN'-(4-bromo-1H-pyrrole-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cc(Br)c[nH]2)on1
InChIInChI=1S/C10H9BrN4O3/c1-5-2-8(18-15-5)10(17)14-13-9(16)7-3-6(11)4-12-7/h2-4,12H,1H3,(H,13,16)(H,14,17)
InChIKeyUPURHBLVHPARBX-UHFFFAOYSA-N
MW313.11 g/mol
LogP1.15
Rot. Bonds2

About N'-(4-bromo-1H-pyrrole-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide

N'-(4-bromo-1H-pyrrole-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide (PubChem CID 31598667) has the molecular formula C10H9BrN4O3 and a molecular weight of 313.11 g/mol. Its IUPAC name is N'-(4-bromo-1H-pyrrole-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(4-bromo-1H-pyrrole-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide
PubChem CID31598667
Molecular FormulaC10H9BrN4O3
Molecular Weight313.11 g/mol
Exact Mass311.99
IUPAC NameN'-(4-bromo-1H-pyrrole-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cc(Br)c[nH]2)on1
InChIInChI=1S/C10H9BrN4O3/c1-5-2-8(18-15-5)10(17)14-13-9(16)7-3-6(11)4-12-7/h2-4,12H,1H3,(H,13,16)(H,14,17)
InChIKeyUPURHBLVHPARBX-UHFFFAOYSA-N
XLogP1.15
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.11
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'-(4-bromo-1H-pyrrole-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide?
The IUPAC name of N'-(4-bromo-1H-pyrrole-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide (CID 31598667) is N'-(4-bromo-1H-pyrrole-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide.
What is the SMILES notation for N'-(4-bromo-1H-pyrrole-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide?
The canonical SMILES for N'-(4-bromo-1H-pyrrole-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2cc(Br)c[nH]2)on1.
What is the InChIKey of N'-(4-bromo-1H-pyrrole-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide?
The InChIKey is UPURHBLVHPARBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O3/c1-5-2-8(18-15-5)10(17)14-13-9(16)7-3-6(11)4-12-7/h2-4,12H,1H3,(H,13,16)(H,14,17).
What are the key properties of N'-(4-bromo-1H-pyrrole-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide?
N'-(4-bromo-1H-pyrrole-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide has a molecular weight of 313.11 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-1H-pyrrole-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide is sourced from PubChem (CID 31598667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).