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

C12H15N5O2 — CID 106409248

IUPAC4-hydrazinyl-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2ccc(NN)cc2C)no1
InChIInChI=1S/C12H15N5O2/c1-7-5-9(16-13)3-4-10(7)12(18)14-6-11-15-8(2)19-17-11/h3-5,16H,6,13H2,1-2H3,(H,14,18)
InChIKeyBPKOFCQXISSVOX-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.90
Rot. Bonds4

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

4-hydrazinyl-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide (PubChem CID 106409248) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-hydrazinyl-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-hydrazinyl-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
PubChem CID106409248
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name4-hydrazinyl-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2ccc(NN)cc2C)no1
InChIInChI=1S/C12H15N5O2/c1-7-5-9(16-13)3-4-10(7)12(18)14-6-11-15-8(2)19-17-11/h3-5,16H,6,13H2,1-2H3,(H,14,18)
InChIKeyBPKOFCQXISSVOX-UHFFFAOYSA-N
XLogP0.90
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.90
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-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 106409201
2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]benzoic acid
CID 106402619
2-amino-5-hydroxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 114182758
4-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106413248
4-fluoro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 103820316
2-amino-4,5-difluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 106391337
4-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 4233230
2-(2-aminoethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 106396658
2-amino-3-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 114183521
4-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-nitrobenzamide
CID 106409218
2-methyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]benzoic acid
CID 106402861
4-methoxy-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 110876352

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The IUPAC name of 4-hydrazinyl-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide (CID 106409248) is 4-hydrazinyl-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-hydrazinyl-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The canonical SMILES for 4-hydrazinyl-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide is Cc1nc(CNC(=O)c2ccc(NN)cc2C)no1.
What is the InChIKey of 4-hydrazinyl-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The InChIKey is BPKOFCQXISSVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-7-5-9(16-13)3-4-10(7)12(18)14-6-11-15-8(2)19-17-11/h3-5,16H,6,13H2,1-2H3,(H,14,18).
What are the key properties of 4-hydrazinyl-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
4-hydrazinyl-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide has a molecular weight of 261.29 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide is sourced from PubChem (CID 106409248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).