N'-hydroxy-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]benzenecarboximidamide

C12H15N5O2 — CID 106400077

IUPACN'-hydroxy-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]benzenecarboximidamide
SMILESCc1nc(CNCc2ccccc2/C(N)=N/O)no1
InChIInChI=1S/C12H15N5O2/c1-8-15-11(17-19-8)7-14-6-9-4-2-3-5-10(9)12(13)16-18/h2-5,14,18H,6-7H2,1H3,(H2,13,16)
InChIKeyLVWUTYAWZDZOIC-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.76
Rot. Bonds5

About N'-hydroxy-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]benzenecarboximidamide

N'-hydroxy-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]benzenecarboximidamide (PubChem CID 106400077) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is N'-hydroxy-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]benzenecarboximidamide
PubChem CID106400077
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC NameN'-hydroxy-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]benzenecarboximidamide
SMILESCc1nc(CNCc2ccccc2/C(N)=N/O)no1
InChIInChI=1S/C12H15N5O2/c1-8-15-11(17-19-8)7-14-6-9-4-2-3-5-10(9)12(13)16-18/h2-5,14,18H,6-7H2,1H3,(H2,13,16)
InChIKeyLVWUTYAWZDZOIC-UHFFFAOYSA-N
XLogP0.76
TPSA109.56 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 ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N'-hydroxy-4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]benzenecarboximidamide
CID 106400084
N'-hydroxy-2-[[(5-methylthiophen-2-yl)methylamino]methyl]benzenecarboximidamide
CID 77028431
1-(2-ethoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 113248221
2-bromo-6-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]phenol
CID 107234134
4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]benzene-1,3-diol
CID 114078696
N'-hydroxy-2-[(pyridazin-3-ylmethylamino)methyl]benzenecarboximidamide
CID 106896370
N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzenecarboximidamide
CID 77026755
N'-hydroxy-2-[(3-methylbut-2-enylamino)methyl]benzenecarboximidamide
CID 114155961
N'-hydroxy-2-[(2-hydroxybutylamino)methyl]benzenecarboximidamide
CID 113492257
N'-hydroxy-2-[(5-methylpyrazol-1-yl)methyl]benzenecarboximidamide
CID 77037621
1-(1H-indol-3-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 106391408
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine
CID 107234132

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]benzenecarboximidamide (CID 106400077) is N'-hydroxy-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]benzenecarboximidamide is Cc1nc(CNCc2ccccc2/C(N)=N/O)no1.
What is the InChIKey of N'-hydroxy-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]benzenecarboximidamide?
The InChIKey is LVWUTYAWZDZOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-15-11(17-19-8)7-14-6-9-4-2-3-5-10(9)12(13)16-18/h2-5,14,18H,6-7H2,1H3,(H2,13,16).
What are the key properties of N'-hydroxy-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]benzenecarboximidamide?
N'-hydroxy-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]benzenecarboximidamide has a molecular weight of 261.29 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]benzenecarboximidamide is sourced from PubChem (CID 106400077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).