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

C9H16N4O2 — CID 106388648

IUPACN'-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]propanimidamide
SMILESCc1cnc(C(C)NC(C)/C(N)=N/O)o1
InChIInChI=1S/C9H16N4O2/c1-5-4-11-9(15-5)7(3)12-6(2)8(10)13-14/h4,6-7,12,14H,1-3H3,(H2,10,13)
InChIKeyIFXOXPWFSOXLFZ-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.77
Rot. Bonds4

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

N'-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]propanimidamide (PubChem CID 106388648) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N'-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]propanimidamide
PubChem CID106388648
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN'-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]propanimidamide
SMILESCc1cnc(C(C)NC(C)/C(N)=N/O)o1
InChIInChI=1S/C9H16N4O2/c1-5-4-11-9(15-5)7(3)12-6(2)8(10)13-14/h4,6-7,12,14H,1-3H3,(H2,10,13)
InChIKeyIFXOXPWFSOXLFZ-UHFFFAOYSA-N
XLogP0.77
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.77
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-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanimidamide
CID 106388635
N-tert-butyl-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]propanamide
CID 104579635
1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 106388714
N'-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 106388030
2-carbamothioyl-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butanamide
CID 114182415
3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide
CID 106388530
N'-hydroxy-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanimidamide
CID 81407035
N'-hydroxy-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanimidamide
CID 106372798
2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]ethyl]benzene-1,4-diol
CID 106388008
N'-hydroxy-2-[[(1S)-1-phenylethyl]amino]propanimidamide
CID 78992213
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]formamide
CID 106389909
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 103893462

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]propanimidamide (CID 106388648) is N'-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]propanimidamide is Cc1cnc(C(C)NC(C)/C(N)=N/O)o1.
What is the InChIKey of N'-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]propanimidamide?
The InChIKey is IFXOXPWFSOXLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-5-4-11-9(15-5)7(3)12-6(2)8(10)13-14/h4,6-7,12,14H,1-3H3,(H2,10,13).
What are the key properties of N'-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]propanimidamide?
N'-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]propanimidamide has a molecular weight of 212.25 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]propanimidamide is sourced from PubChem (CID 106388648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).