4-bromo-1-methyl-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide

C17H16BrN5O4 — CID 31315212

IUPAC4-bromo-1-methyl-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide
SMILESCc1nc(COc2ccccc2C(=O)NNC(=O)c2cc(Br)cn2C)no1
InChIInChI=1S/C17H16BrN5O4/c1-10-19-15(22-27-10)9-26-14-6-4-3-5-12(14)16(24)20-21-17(25)13-7-11(18)8-23(13)2/h3-8H,9H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyWTOVRLDESZGHPL-UHFFFAOYSA-N
MW434.25 g/mol
LogP2.13
Rot. Bonds5

About 4-bromo-1-methyl-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide

4-bromo-1-methyl-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide (PubChem CID 31315212) has the molecular formula C17H16BrN5O4 and a molecular weight of 434.25 g/mol. Its IUPAC name is 4-bromo-1-methyl-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-1-methyl-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide
PubChem CID31315212
Molecular FormulaC17H16BrN5O4
Molecular Weight434.25 g/mol
Exact Mass433.04
IUPAC Name4-bromo-1-methyl-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide
SMILESCc1nc(COc2ccccc2C(=O)NNC(=O)c2cc(Br)cn2C)no1
InChIInChI=1S/C17H16BrN5O4/c1-10-19-15(22-27-10)9-26-14-6-4-3-5-12(14)16(24)20-21-17(25)13-7-11(18)8-23(13)2/h3-8H,9H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyWTOVRLDESZGHPL-UHFFFAOYSA-N
XLogP2.13
TPSA111.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.25
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methoxy-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]benzohydrazide
CID 43038748
4-bromo-N'-[2-(difluoromethoxy)benzoyl]-1-methylpyrrole-2-carbohydrazide
CID 31293480
N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16579605
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 51075427
N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 31301282
N-(4-methoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46688985
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-quinolin-3-ylbenzamide
CID 31031173
2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]butanoic acid
CID 119224012
N-(4-tert-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46673190
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 86822452
[4-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone;hydrochloride
CID 119563137
N-(2,3-dimethylcyclohexyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46531672

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-1-methyl-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide (CID 31315212) is 4-bromo-1-methyl-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-1-methyl-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-1-methyl-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide is Cc1nc(COc2ccccc2C(=O)NNC(=O)c2cc(Br)cn2C)no1.
What is the InChIKey of 4-bromo-1-methyl-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide?
The InChIKey is WTOVRLDESZGHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O4/c1-10-19-15(22-27-10)9-26-14-6-4-3-5-12(14)16(24)20-21-17(25)13-7-11(18)8-23(13)2/h3-8H,9H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of 4-bromo-1-methyl-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide?
4-bromo-1-methyl-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide has a molecular weight of 434.25 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide is sourced from PubChem (CID 31315212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).