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

C12H12FNO2 — CID 91179463

IUPAC3-(4-fluorophenyl)-5-(methoxymethylidene)-4-methyl-2H-1,2-oxazole
SMILESCOC=C1ONC(c2ccc(F)cc2)=C1C
InChIInChI=1S/C12H12FNO2/c1-8-11(7-15-2)16-14-12(8)9-3-5-10(13)6-4-9/h3-7,14H,1-2H3
InChIKeyHPGITZZTTOJGAG-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.58
Rot. Bonds2

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

3-(4-fluorophenyl)-5-(methoxymethylidene)-4-methyl-2H-1,2-oxazole (PubChem CID 91179463) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(methoxymethylidene)-4-methyl-2H-1,2-oxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(methoxymethylidene)-4-methyl-2H-1,2-oxazole
PubChem CID91179463
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name3-(4-fluorophenyl)-5-(methoxymethylidene)-4-methyl-2H-1,2-oxazole
SMILESCOC=C1ONC(c2ccc(F)cc2)=C1C
InChIInChI=1S/C12H12FNO2/c1-8-11(7-15-2)16-14-12(8)9-3-5-10(13)6-4-9/h3-7,14H,1-2H3
InChIKeyHPGITZZTTOJGAG-UHFFFAOYSA-N
XLogP2.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.58
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)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 56986394
1-(2,4-difluorophenyl)-N-methoxyethenamine
CID 57050334
1-(3,4-difluorophenyl)-N-methoxyethenamine
CID 57058181
1-(2-fluorophenyl)-N-methoxyethenamine
CID 57082075
[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
1-(2,5-difluorophenyl)-N-methoxyethenamine
CID 57227492
1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
CID 57266923
1-(4-fluorophenyl)-N-methoxypent-1-en-1-amine
CID 57284314
1-(4-fluorophenyl)-N-methoxyethenamine
CID 90882872
1-phenyl-N-(2,2,2-trifluoroethoxy)ethenamine
CID 90980629

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(methoxymethylidene)-4-methyl-2H-1,2-oxazole?
The IUPAC name of 3-(4-fluorophenyl)-5-(methoxymethylidene)-4-methyl-2H-1,2-oxazole (CID 91179463) is 3-(4-fluorophenyl)-5-(methoxymethylidene)-4-methyl-2H-1,2-oxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(methoxymethylidene)-4-methyl-2H-1,2-oxazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-(methoxymethylidene)-4-methyl-2H-1,2-oxazole is COC=C1ONC(c2ccc(F)cc2)=C1C.
What is the InChIKey of 3-(4-fluorophenyl)-5-(methoxymethylidene)-4-methyl-2H-1,2-oxazole?
The InChIKey is HPGITZZTTOJGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-8-11(7-15-2)16-14-12(8)9-3-5-10(13)6-4-9/h3-7,14H,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-5-(methoxymethylidene)-4-methyl-2H-1,2-oxazole?
3-(4-fluorophenyl)-5-(methoxymethylidene)-4-methyl-2H-1,2-oxazole has a molecular weight of 221.23 g/mol, XLogP of 2.58, 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)-4-methyl-2H-1,2-oxazole is sourced from PubChem (CID 91179463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).