(4E)-4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol

C5H8N2O3 — CID 135493978

IUPAC(4E)-4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol
SMILESCC1=NOC(C)(O)/C1=N/O
InChIInChI=1S/C5H8N2O3/c1-3-4(6-9)5(2,8)10-7-3/h8-9H,1-2H3/b6-4+
InChIKeyQIBIZPIECFGQTL-GQCTYLIASA-N
MW144.13 g/mol
LogP-0.07
Rot. Bonds

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

(4E)-4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol (PubChem CID 135493978) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is (4E)-4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol.

Molecular Properties

Compound Name(4E)-4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol
PubChem CID135493978
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name(4E)-4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol
SMILESCC1=NOC(C)(O)/C1=N/O
InChIInChI=1S/C5H8N2O3/c1-3-4(6-9)5(2,8)10-7-3/h8-9H,1-2H3/b6-4+
InChIKeyQIBIZPIECFGQTL-GQCTYLIASA-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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Related Compounds

5-Hydroxy-3-methyl-5(trifluoromethyl)-1,2-oxazol-4(5h)-one oxime
CID 138756299
5-Hydroxy-3,5-dimethylisoxazol-4(5H)-one oxime
CID 137122576
3,5-Dimethyl-4,5-dihydro-1,2-oxazol-5-ol
CID 13429843
3,5-diethyl-4H-1,2-oxazol-5-ol
CID 59652548
3-methyl-4H-1,2-oxazole-5,5-diol
CID 88645595
4-Hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol
CID 135428305

Frequently Asked Questions

What is the IUPAC name of (4E)-4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol?
The IUPAC name of (4E)-4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol (CID 135493978) is (4E)-4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol.
What is the SMILES notation for (4E)-4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol?
The canonical SMILES for (4E)-4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol is CC1=NOC(C)(O)/C1=N/O.
What is the InChIKey of (4E)-4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol?
The InChIKey is QIBIZPIECFGQTL-GQCTYLIASA-N. The full InChI is InChI=1S/C5H8N2O3/c1-3-4(6-9)5(2,8)10-7-3/h8-9H,1-2H3/b6-4+.
What are the key properties of (4E)-4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol?
(4E)-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 (4E)-4-hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol is sourced from PubChem (CID 135493978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).