N'-hydroxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanimidamide

C10H18N4O2 — CID 106372805

IUPACN'-hydroxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanimidamide
SMILESCCC(C/C(N)=N/O)NCc1ncc(C)o1
InChIInChI=1S/C10H18N4O2/c1-3-8(4-9(11)14-15)12-6-10-13-5-7(2)16-10/h5,8,12,15H,3-4,6H2,1-2H3,(H2,11,14)
InChIKeyAOWHMAKFMKTGFR-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.99
Rot. Bonds6

About N'-hydroxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanimidamide

N'-hydroxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanimidamide (PubChem CID 106372805) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N'-hydroxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanimidamide
PubChem CID106372805
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN'-hydroxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanimidamide
SMILESCCC(C/C(N)=N/O)NCc1ncc(C)o1
InChIInChI=1S/C10H18N4O2/c1-3-8(4-9(11)14-15)12-6-10-13-5-7(2)16-10/h5,8,12,15H,3-4,6H2,1-2H3,(H2,11,14)
InChIKeyAOWHMAKFMKTGFR-UHFFFAOYSA-N
XLogP0.99
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentanimidamide
CID 77031820
N'-hydroxy-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanimidamide
CID 106372811
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]butanamide
CID 106371987
3-amino-3-hydroxyimino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106375701
N'-hydroxy-3-[(2-methylphenyl)methylamino]pentanimidamide
CID 77029037
N'-hydroxy-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanimidamide
CID 106372798
N'-hydroxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanimidamide
CID 106388635
3-[(4-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77027152
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103797047
3-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77027177
N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanimidamide
CID 103415690
N-[(5-methyl-1,3-oxazol-2-yl)methyl]hexan-2-amine
CID 103096842

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanimidamide (CID 106372805) is N'-hydroxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanimidamide is CCC(C/C(N)=N/O)NCc1ncc(C)o1.
What is the InChIKey of N'-hydroxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanimidamide?
The InChIKey is AOWHMAKFMKTGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-3-8(4-9(11)14-15)12-6-10-13-5-7(2)16-10/h5,8,12,15H,3-4,6H2,1-2H3,(H2,11,14).
What are the key properties of N'-hydroxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanimidamide?
N'-hydroxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanimidamide has a molecular weight of 226.28 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanimidamide is sourced from PubChem (CID 106372805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).