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

C7H12N4O2 — CID 106372811

IUPACN'-hydroxy-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanimidamide
SMILESCc1cnc(CNCC(N)=NO)o1
InChIInChI=1S/C7H12N4O2/c1-5-2-10-7(13-5)4-9-3-6(8)11-12/h2,9,12H,3-4H2,1H3,(H2,8,11)
InChIKeyFDIWNRXEQGQBIO-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.18
Rot. Bonds4

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

N'-hydroxy-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanimidamide (PubChem CID 106372811) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is N'-hydroxy-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanimidamide
PubChem CID106372811
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC NameN'-hydroxy-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanimidamide
SMILESCc1cnc(CNCC(N)=NO)o1
InChIInChI=1S/C7H12N4O2/c1-5-2-10-7(13-5)4-9-3-6(8)11-12/h2,9,12H,3-4H2,1H3,(H2,8,11)
InChIKeyFDIWNRXEQGQBIO-UHFFFAOYSA-N
XLogP-0.18
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.18
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

3-amino-3-hydroxyimino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106375701
N'-hydroxy-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanimidamide
CID 106372798
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 106372016
N'-hydroxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanimidamide
CID 106372805
N'-hydroxy-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyridine-2-carboximidamide
CID 136811550
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-N-propan-2-ylacetamide
CID 106372389
1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275583
3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-1-ol
CID 106371738
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 106371910
N'-hydroxy-2-methoxy-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzenecarboximidamide
CID 106372791
N-butyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 106372322
N'-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanimidamide
CID 77032798

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanimidamide (CID 106372811) is N'-hydroxy-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanimidamide is Cc1cnc(CNCC(N)=NO)o1.
What is the InChIKey of N'-hydroxy-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanimidamide?
The InChIKey is FDIWNRXEQGQBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-5-2-10-7(13-5)4-9-3-6(8)11-12/h2,9,12H,3-4H2,1H3,(H2,8,11).
What are the key properties of N'-hydroxy-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanimidamide?
N'-hydroxy-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanimidamide has a molecular weight of 184.20 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanimidamide is sourced from PubChem (CID 106372811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).