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

C10H18N4O2 — CID 106388635

IUPACN'-hydroxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanimidamide
SMILESCc1cnc(C(C)NC(C)C/C(N)=N/O)o1
InChIInChI=1S/C10H18N4O2/c1-6(4-9(11)14-15)13-8(3)10-12-5-7(2)16-10/h5-6,8,13,15H,4H2,1-3H3,(H2,11,14)
InChIKeyFRIBBCJSVKXRCB-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.16
Rot. Bonds5

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

N'-hydroxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanimidamide (PubChem CID 106388635) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N'-hydroxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanimidamide
PubChem CID106388635
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN'-hydroxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanimidamide
SMILESCc1cnc(C(C)NC(C)C/C(N)=N/O)o1
InChIInChI=1S/C10H18N4O2/c1-6(4-9(11)14-15)13-8(3)10-12-5-7(2)16-10/h5-6,8,13,15H,4H2,1-3H3,(H2,11,14)
InChIKeyFRIBBCJSVKXRCB-UHFFFAOYSA-N
XLogP1.16
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.16
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-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]propanimidamide
CID 106388648
N'-hydroxy-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]butanimidamide
CID 81355743
1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 106388714
N'-hydroxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanimidamide
CID 106372805
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptan-3-amine
CID 104773457
N'-hydroxy-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]butanimidamide
CID 77045213
N'-hydroxy-3-[1-(4-methoxyphenyl)ethylamino]butanimidamide
CID 77114499
3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide
CID 106388530
N',N'-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethane-1,2-diamine
CID 104579639
N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanimidamide
CID 77031370
(2S,3S)-2-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
CID 103951387
N'-hydroxy-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanimidamide
CID 106372811

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanimidamide (CID 106388635) is N'-hydroxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanimidamide is Cc1cnc(C(C)NC(C)C/C(N)=N/O)o1.
What is the InChIKey of N'-hydroxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanimidamide?
The InChIKey is FRIBBCJSVKXRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-6(4-9(11)14-15)13-8(3)10-12-5-7(2)16-10/h5-6,8,13,15H,4H2,1-3H3,(H2,11,14).
What are the key properties of N'-hydroxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanimidamide?
N'-hydroxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanimidamide has a molecular weight of 226.28 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanimidamide is sourced from PubChem (CID 106388635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).