4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol

C5H8N2O3 — CID 135428305

IUPAC4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol
SMILESCC1=NOC(C)(O)C1=NO
InChIInChI=1S/C5H8N2O3/c1-3-4(6-9)5(2,8)10-7-3/h8-9H,1-2H3
InChIKeyQIBIZPIECFGQTL-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.07
Rot. Bonds

About 4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol

4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol (PubChem CID 135428305) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is 4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol.

Molecular Properties

Compound Name4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol
PubChem CID135428305
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol
SMILESCC1=NOC(C)(O)C1=NO
InChIInChI=1S/C5H8N2O3/c1-3-4(6-9)5(2,8)10-7-3/h8-9H,1-2H3
InChIKeyQIBIZPIECFGQTL-UHFFFAOYSA-N
XLogP-0.07
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol?
The IUPAC name of 4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol (CID 135428305) is 4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol.
What is the SMILES notation for 4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol?
The canonical SMILES for 4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol is CC1=NOC(C)(O)C1=NO.
What is the InChIKey of 4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol?
The InChIKey is QIBIZPIECFGQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c1-3-4(6-9)5(2,8)10-7-3/h8-9H,1-2H3.
What are the key properties of 4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol?
4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol has a molecular weight of 144.13 g/mol, XLogP of -0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol is sourced from PubChem (CID 135428305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).