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

C12H15N5O2 — CID 106409338

IUPAC4-hydrazinyl-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCc1cc(C(=O)NCCc2ncno2)ccc1NN
InChIInChI=1S/C12H15N5O2/c1-8-6-9(2-3-10(8)17-13)12(18)14-5-4-11-15-7-16-19-11/h2-3,6-7,17H,4-5,13H2,1H3,(H,14,18)
InChIKeyCPXYQUAKVBVPFC-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.64
Rot. Bonds5

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

4-hydrazinyl-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide (PubChem CID 106409338) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-hydrazinyl-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-hydrazinyl-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
PubChem CID106409338
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name4-hydrazinyl-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCc1cc(C(=O)NCCc2ncno2)ccc1NN
InChIInChI=1S/C12H15N5O2/c1-8-6-9(2-3-10(8)17-13)12(18)14-5-4-11-15-7-16-19-11/h2-3,6-7,17H,4-5,13H2,1H3,(H,14,18)
InChIKeyCPXYQUAKVBVPFC-UHFFFAOYSA-N
XLogP0.64
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.64
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-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391499
4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391581
2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide
CID 103743995
6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 103744003
4-hydrazinyl-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbenzamide
CID 63211606
2-hydrazinyl-5-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106409327
3-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 113253186
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
CID 114139757
4-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 103799885
2-amino-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391609
4-hydrazinyl-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 63211458
4-(3-aminoprop-1-ynyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106406896

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-hydrazinyl-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide (CID 106409338) is 4-hydrazinyl-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-hydrazinyl-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-hydrazinyl-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide is Cc1cc(C(=O)NCCc2ncno2)ccc1NN.
What is the InChIKey of 4-hydrazinyl-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The InChIKey is CPXYQUAKVBVPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-6-9(2-3-10(8)17-13)12(18)14-5-4-11-15-7-16-19-11/h2-3,6-7,17H,4-5,13H2,1H3,(H,14,18).
What are the key properties of 4-hydrazinyl-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide?
4-hydrazinyl-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide has a molecular weight of 261.29 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 106409338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).