4-(chloromethyl)-2-(6-fluoro-1H-indol-2-yl)-1,3-oxazole

C12H8ClFN2O — CID 142575710

IUPAC4-(chloromethyl)-2-(6-fluoro-1H-indol-2-yl)-1,3-oxazole
SMILESFc1ccc2cc(-c3nc(CCl)co3)[nH]c2c1
InChIInChI=1S/C12H8ClFN2O/c13-5-9-6-17-12(15-9)11-3-7-1-2-8(14)4-10(7)16-11/h1-4,6,16H,5H2
InChIKeyVGLBFDNKKZNKDF-UHFFFAOYSA-N
MW250.66 g/mol
LogP3.70
Rot. Bonds2

About 4-(chloromethyl)-2-(6-fluoro-1H-indol-2-yl)-1,3-oxazole

4-(chloromethyl)-2-(6-fluoro-1H-indol-2-yl)-1,3-oxazole (PubChem CID 142575710) has the molecular formula C12H8ClFN2O and a molecular weight of 250.66 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(6-fluoro-1H-indol-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(6-fluoro-1H-indol-2-yl)-1,3-oxazole
PubChem CID142575710
Molecular FormulaC12H8ClFN2O
Molecular Weight250.66 g/mol
Exact Mass250.03
IUPAC Name4-(chloromethyl)-2-(6-fluoro-1H-indol-2-yl)-1,3-oxazole
SMILESFc1ccc2cc(-c3nc(CCl)co3)[nH]c2c1
InChIInChI=1S/C12H8ClFN2O/c13-5-9-6-17-12(15-9)11-3-7-1-2-8(14)4-10(7)16-11/h1-4,6,16H,5H2
InChIKeyVGLBFDNKKZNKDF-UHFFFAOYSA-N
XLogP3.70
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(6-fluoro-1H-indol-2-yl)-1,3-oxazole?
The IUPAC name of 4-(chloromethyl)-2-(6-fluoro-1H-indol-2-yl)-1,3-oxazole (CID 142575710) is 4-(chloromethyl)-2-(6-fluoro-1H-indol-2-yl)-1,3-oxazole.
What is the SMILES notation for 4-(chloromethyl)-2-(6-fluoro-1H-indol-2-yl)-1,3-oxazole?
The canonical SMILES for 4-(chloromethyl)-2-(6-fluoro-1H-indol-2-yl)-1,3-oxazole is Fc1ccc2cc(-c3nc(CCl)co3)[nH]c2c1.
What is the InChIKey of 4-(chloromethyl)-2-(6-fluoro-1H-indol-2-yl)-1,3-oxazole?
The InChIKey is VGLBFDNKKZNKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O/c13-5-9-6-17-12(15-9)11-3-7-1-2-8(14)4-10(7)16-11/h1-4,6,16H,5H2.
What are the key properties of 4-(chloromethyl)-2-(6-fluoro-1H-indol-2-yl)-1,3-oxazole?
4-(chloromethyl)-2-(6-fluoro-1H-indol-2-yl)-1,3-oxazole has a molecular weight of 250.66 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(6-fluoro-1H-indol-2-yl)-1,3-oxazole is sourced from PubChem (CID 142575710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).