[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-ylidene]methanone

C10H5ClFNO2 — CID 164702706

IUPAC[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-ylidene]methanone
SMILESO=C=C1CON=C1c1c(F)cccc1Cl
InChIInChI=1S/C10H5ClFNO2/c11-7-2-1-3-8(12)9(7)10-6(4-14)5-15-13-10/h1-3H,5H2
InChIKeyZDEPGUALVKLBJY-UHFFFAOYSA-N
MW225.61 g/mol
LogP1.97
Rot. Bonds1

About [3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-ylidene]methanone

[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-ylidene]methanone (PubChem CID 164702706) has the molecular formula C10H5ClFNO2 and a molecular weight of 225.61 g/mol. Its IUPAC name is [3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-ylidene]methanone.

Molecular Properties

Compound Name[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-ylidene]methanone
PubChem CID164702706
Molecular FormulaC10H5ClFNO2
Molecular Weight225.61 g/mol
Exact Mass225.00
IUPAC Name[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-ylidene]methanone
SMILESO=C=C1CON=C1c1c(F)cccc1Cl
InChIInChI=1S/C10H5ClFNO2/c11-7-2-1-3-8(12)9(7)10-6(4-14)5-15-13-10/h1-3H,5H2
InChIKeyZDEPGUALVKLBJY-UHFFFAOYSA-N
XLogP1.97
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.61
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

3-(4-Chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,2-oxazole
CID 102340043
3-(2-Chloro-phenyl)-isoxazol-4-one
CID 11030712
3-(4-Chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 11557390
(5R)-5-(2-chloro-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 58433129
5-(2-Chloro-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 68324613
3-(2-Chloro-6-fluorophenyl)-4,5-dimethyl-4,5-dihydro-1,2-oxazole
CID 167186481
3-(2-Chloro-6-fluorophenyl)-5-(chloromethyl)-4,5-dihydro-1,2-oxazole
CID 64157428
[3-(2-Chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 64167043
5-(1-Chloroethyl)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 81940950
(5S)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile
CID 99993768
(5R)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile
CID 99993770
(5R)-5-(bromomethyl)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 99994023

Frequently Asked Questions

What is the IUPAC name of [3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-ylidene]methanone?
The IUPAC name of [3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-ylidene]methanone (CID 164702706) is [3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-ylidene]methanone.
What is the SMILES notation for [3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-ylidene]methanone?
The canonical SMILES for [3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-ylidene]methanone is O=C=C1CON=C1c1c(F)cccc1Cl.
What is the InChIKey of [3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-ylidene]methanone?
The InChIKey is ZDEPGUALVKLBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFNO2/c11-7-2-1-3-8(12)9(7)10-6(4-14)5-15-13-10/h1-3H,5H2.
What are the key properties of [3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-ylidene]methanone?
[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-ylidene]methanone has a molecular weight of 225.61 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-ylidene]methanone is sourced from PubChem (CID 164702706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).