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

C8H15N5O2 — CID 77027890

IUPACN'-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanimidamide
SMILESCc1noc(CNCC(C)C(N)=NO)n1
InChIInChI=1S/C8H15N5O2/c1-5(8(9)12-14)3-10-4-7-11-6(2)13-15-7/h5,10,14H,3-4H2,1-2H3,(H2,9,12)
InChIKeyRYXCNXJFLPHZAX-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.15
Rot. Bonds5

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

N'-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanimidamide (PubChem CID 77027890) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanimidamide
PubChem CID77027890
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC NameN'-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanimidamide
SMILESCc1noc(CNCC(C)C(N)=NO)n1
InChIInChI=1S/C8H15N5O2/c1-5(8(9)12-14)3-10-4-7-11-6(2)13-15-7/h5,10,14H,3-4H2,1-2H3,(H2,9,12)
InChIKeyRYXCNXJFLPHZAX-UHFFFAOYSA-N
XLogP-0.15
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.15
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

N'-hydroxy-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanimidamide
CID 106372798
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butan-2-ol
CID 61014735
3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 79242219
2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 62358635
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-propan-2-ylpropanamide
CID 60977181
3-amino-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 62669840
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 61014998
2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,2-diamine
CID 103389384
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine
CID 155238388
3,3,3-trifluoro-2-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]propanenitrile
CID 103367094
4-(N'-hydroxycarbamimidoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxane-4-carboxamide
CID 76927078
3-[(2-ethylphenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77052059

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanimidamide (CID 77027890) is N'-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanimidamide is Cc1noc(CNCC(C)C(N)=NO)n1.
What is the InChIKey of N'-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanimidamide?
The InChIKey is RYXCNXJFLPHZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-5(8(9)12-14)3-10-4-7-11-6(2)13-15-7/h5,10,14H,3-4H2,1-2H3,(H2,9,12).
What are the key properties of N'-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanimidamide?
N'-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanimidamide has a molecular weight of 213.24 g/mol, XLogP of -0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanimidamide is sourced from PubChem (CID 77027890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).