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

C7H12N4O2 — CID 77032798

IUPACN'-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanimidamide
SMILESCc1cc(CNCC(N)=NO)on1
InChIInChI=1S/C7H12N4O2/c1-5-2-6(13-11-5)3-9-4-7(8)10-12/h2,9,12H,3-4H2,1H3,(H2,8,10)
InChIKeyZQFLNMFJJXRRGE-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.18
Rot. Bonds4

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

N'-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanimidamide (PubChem CID 77032798) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is N'-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanimidamide
PubChem CID77032798
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC NameN'-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanimidamide
SMILESCc1cc(CNCC(N)=NO)on1
InChIInChI=1S/C7H12N4O2/c1-5-2-6(13-11-5)3-9-4-7(8)10-12/h2,9,12H,3-4H2,1H3,(H2,8,10)
InChIKeyZQFLNMFJJXRRGE-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-[(3-methyl-1,2-oxazol-5-yl)methylamino]propane-1,2-diol
CID 76926965
1-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
CID 62483333
2-N,2-dimethyl-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propane-1,2-diamine
CID 62846772
N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanamine
CID 82594380
1,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
CID 130969421
ethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 62189875
N',N'-diethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 60719969
N-(3-amino-3-hydroxyiminopropyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 76952846
methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 115598489
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017221
1-ethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017228
N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine
CID 60712181

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanimidamide (CID 77032798) is N'-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanimidamide is Cc1cc(CNCC(N)=NO)on1.
What is the InChIKey of N'-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanimidamide?
The InChIKey is ZQFLNMFJJXRRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-5-2-6(13-11-5)3-9-4-7(8)10-12/h2,9,12H,3-4H2,1H3,(H2,8,10).
What are the key properties of N'-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanimidamide?
N'-hydroxy-2-[(3-methyl-1,2-oxazol-5-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-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanimidamide is sourced from PubChem (CID 77032798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).