5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide

C12H14ClN5O2 — CID 106423147

IUPAC5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESCc1nc(CCNC(=O)c2cc(Cl)ccc2NN)no1
InChIInChI=1S/C12H14ClN5O2/c1-7-16-11(18-20-7)4-5-15-12(19)9-6-8(13)2-3-10(9)17-14/h2-3,6,17H,4-5,14H2,1H3,(H,15,19)
InChIKeyWANQQNQWYIZLTD-UHFFFAOYSA-N
MW295.73 g/mol
LogP1.29
Rot. Bonds5

About 5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide

5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide (PubChem CID 106423147) has the molecular formula C12H14ClN5O2 and a molecular weight of 295.73 g/mol. Its IUPAC name is 5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
PubChem CID106423147
Molecular FormulaC12H14ClN5O2
Molecular Weight295.73 g/mol
Exact Mass295.08
IUPAC Name5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESCc1nc(CCNC(=O)c2cc(Cl)ccc2NN)no1
InChIInChI=1S/C12H14ClN5O2/c1-7-16-11(18-20-7)4-5-15-12(19)9-6-8(13)2-3-10(9)17-14/h2-3,6,17H,4-5,14H2,1H3,(H,15,19)
InChIKeyWANQQNQWYIZLTD-UHFFFAOYSA-N
XLogP1.29
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106413248
2-amino-4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106422845
3-amino-5-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106413224
5-chloro-2-hydrazinyl-N-(2-methoxyethyl)benzamide
CID 62235921
N-butyl-5-chloro-2-hydrazinylbenzamide
CID 62238150
4-fluoro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 103820316
3-fluoro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
CID 106423139
5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide
CID 62247405
N-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide
CID 62242503
5-chloro-2-hydrazinyl-N-(2-pyridin-2-ylethyl)benzamide
CID 62236376
5-chloro-2-(methylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
CID 106422895
2-chloro-6-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104952518

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide (CID 106423147) is 5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide is Cc1nc(CCNC(=O)c2cc(Cl)ccc2NN)no1.
What is the InChIKey of 5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The InChIKey is WANQQNQWYIZLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O2/c1-7-16-11(18-20-7)4-5-15-12(19)9-6-8(13)2-3-10(9)17-14/h2-3,6,17H,4-5,14H2,1H3,(H,15,19).
What are the key properties of 5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide has a molecular weight of 295.73 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 106423147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).