3-(4-fluorophenyl)-5-(methoxymethylidene)-2H-1,2-oxazole

C11H10FNO2 — CID 91239341

IUPAC3-(4-fluorophenyl)-5-(methoxymethylidene)-2H-1,2-oxazole
SMILESCOC=C1C=C(c2ccc(F)cc2)NO1
InChIInChI=1S/C11H10FNO2/c1-14-7-10-6-11(13-15-10)8-2-4-9(12)5-3-8/h2-7,13H,1H3
InChIKeyRQTSWOMNBGITJS-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.19
Rot. Bonds2

About 3-(4-fluorophenyl)-5-(methoxymethylidene)-2H-1,2-oxazole

3-(4-fluorophenyl)-5-(methoxymethylidene)-2H-1,2-oxazole (PubChem CID 91239341) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(methoxymethylidene)-2H-1,2-oxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(methoxymethylidene)-2H-1,2-oxazole
PubChem CID91239341
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name3-(4-fluorophenyl)-5-(methoxymethylidene)-2H-1,2-oxazole
SMILESCOC=C1C=C(c2ccc(F)cc2)NO1
InChIInChI=1S/C11H10FNO2/c1-14-7-10-6-11(13-15-10)8-2-4-9(12)5-3-8/h2-7,13H,1H3
InChIKeyRQTSWOMNBGITJS-UHFFFAOYSA-N
XLogP2.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Phenyloxazine
CID 53643691
3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 4079470
3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 5056306
2-(4-fluorophenyl)-N-methoxy-1-phenylethenamine
CID 56985679
[3-(4-Fluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 56986394
3,3,3-trifluoro-1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
CID 57025597
1-(2,4-difluorophenyl)-N-methoxyethenamine
CID 57050334
1-(3,4-difluorophenyl)-N-methoxyethenamine
CID 57058181
1-(2-fluorophenyl)-N-methoxyethenamine
CID 57082075
1-(4-fluorophenyl)-N-methoxy-2-phenylethenamine
CID 57083862
[3-(4-Fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazol-4-yl]methanol
CID 57113488
5-(Chloromethyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 57128721

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(methoxymethylidene)-2H-1,2-oxazole?
The IUPAC name of 3-(4-fluorophenyl)-5-(methoxymethylidene)-2H-1,2-oxazole (CID 91239341) is 3-(4-fluorophenyl)-5-(methoxymethylidene)-2H-1,2-oxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(methoxymethylidene)-2H-1,2-oxazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-(methoxymethylidene)-2H-1,2-oxazole is COC=C1C=C(c2ccc(F)cc2)NO1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(methoxymethylidene)-2H-1,2-oxazole?
The InChIKey is RQTSWOMNBGITJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-14-7-10-6-11(13-15-10)8-2-4-9(12)5-3-8/h2-7,13H,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-(methoxymethylidene)-2H-1,2-oxazole?
3-(4-fluorophenyl)-5-(methoxymethylidene)-2H-1,2-oxazole has a molecular weight of 207.20 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(methoxymethylidene)-2H-1,2-oxazole is sourced from PubChem (CID 91239341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).