5-chloro-2-methoxy-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]benzohydrazide

C19H17ClN4O5 — CID 43038748

IUPAC5-chloro-2-methoxy-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]benzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)c1ccccc1OCc1noc(C)n1
InChIInChI=1S/C19H17ClN4O5/c1-11-21-17(24-29-11)10-28-16-6-4-3-5-13(16)18(25)22-23-19(26)14-9-12(20)7-8-15(14)27-2/h3-9H,10H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyLKFVLOUWCHFTJJ-UHFFFAOYSA-N
MW416.82 g/mol
LogP2.69
Rot. Bonds6

About 5-chloro-2-methoxy-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]benzohydrazide

5-chloro-2-methoxy-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]benzohydrazide (PubChem CID 43038748) has the molecular formula C19H17ClN4O5 and a molecular weight of 416.82 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]benzohydrazide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]benzohydrazide
PubChem CID43038748
Molecular FormulaC19H17ClN4O5
Molecular Weight416.82 g/mol
Exact Mass416.09
IUPAC Name5-chloro-2-methoxy-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]benzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)c1ccccc1OCc1noc(C)n1
InChIInChI=1S/C19H17ClN4O5/c1-11-21-17(24-29-11)10-28-16-6-4-3-5-13(16)18(25)22-23-19(26)14-9-12(20)7-8-15(14)27-2/h3-9H,10H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyLKFVLOUWCHFTJJ-UHFFFAOYSA-N
XLogP2.69
TPSA115.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.82
LogP ≤ 52.69
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

N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16579605
N-(4-methoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46688985
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
4-bromo-1-methyl-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide
CID 31315212
[4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 31302422
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16591774
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
5-chloro-2-methoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 2709916
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-quinolin-3-ylbenzamide
CID 31031173
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]butanoic acid
CID 119224012

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]benzohydrazide?
The IUPAC name of 5-chloro-2-methoxy-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]benzohydrazide (CID 43038748) is 5-chloro-2-methoxy-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]benzohydrazide.
What is the SMILES notation for 5-chloro-2-methoxy-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]benzohydrazide?
The canonical SMILES for 5-chloro-2-methoxy-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]benzohydrazide is COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccccc1OCc1noc(C)n1.
What is the InChIKey of 5-chloro-2-methoxy-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]benzohydrazide?
The InChIKey is LKFVLOUWCHFTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O5/c1-11-21-17(24-29-11)10-28-16-6-4-3-5-13(16)18(25)22-23-19(26)14-9-12(20)7-8-15(14)27-2/h3-9H,10H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 5-chloro-2-methoxy-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]benzohydrazide?
5-chloro-2-methoxy-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]benzohydrazide has a molecular weight of 416.82 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]benzohydrazide is sourced from PubChem (CID 43038748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).