2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N'-hydroxyethanimidamide

C11H12FN3O2 — CID 42647409

IUPAC2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N'-hydroxyethanimidamide
SMILESN/C(CC1CC(c2ccc(F)cc2)=NO1)=N\O
InChIInChI=1S/C11H12FN3O2/c12-8-3-1-7(2-4-8)10-5-9(17-15-10)6-11(13)14-16/h1-4,9,16H,5-6H2,(H2,13,14)
InChIKeyDCGBNHKZDIPDNM-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.46
Rot. Bonds3

About 2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N'-hydroxyethanimidamide

2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N'-hydroxyethanimidamide (PubChem CID 42647409) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N'-hydroxyethanimidamide
PubChem CID42647409
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N'-hydroxyethanimidamide
SMILESN/C(CC1CC(c2ccc(F)cc2)=NO1)=N\O
InChIInChI=1S/C11H12FN3O2/c12-8-3-1-7(2-4-8)10-5-9(17-15-10)6-11(13)14-16/h1-4,9,16H,5-6H2,(H2,13,14)
InChIKeyDCGBNHKZDIPDNM-UHFFFAOYSA-N
XLogP1.46
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N'-hydroxyethanimidamide (CID 42647409) is 2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N'-hydroxyethanimidamide is N/C(CC1CC(c2ccc(F)cc2)=NO1)=N\O.
What is the InChIKey of 2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N'-hydroxyethanimidamide?
The InChIKey is DCGBNHKZDIPDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c12-8-3-1-7(2-4-8)10-5-9(17-15-10)6-11(13)14-16/h1-4,9,16H,5-6H2,(H2,13,14).
What are the key properties of 2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N'-hydroxyethanimidamide?
2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N'-hydroxyethanimidamide has a molecular weight of 237.23 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 42647409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).