2-(2-chloroethyl)-5-(5-fluoro-2-pyridinyl)-1,3-oxazole

C10H8ClFN2O — CID 83125150

IUPAC2-(2-chloroethyl)-5-(5-fluoro-2-pyridinyl)-1,3-oxazole
SMILESFc1ccc(-c2cnc(CCCl)o2)nc1
InChIInChI=1S/C10H8ClFN2O/c11-4-3-10-14-6-9(15-10)8-2-1-7(12)5-13-8/h1-2,5-6H,3-4H2
InChIKeyOAQBCEFIBVNSPZ-UHFFFAOYSA-N
MW226.64 g/mol
LogP2.66
Rot. Bonds3

About 2-(2-chloroethyl)-5-(5-fluoro-2-pyridinyl)-1,3-oxazole

2-(2-chloroethyl)-5-(5-fluoro-2-pyridinyl)-1,3-oxazole (PubChem CID 83125150) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(5-fluoro-2-pyridinyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(5-fluoro-2-pyridinyl)-1,3-oxazole
PubChem CID83125150
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name2-(2-chloroethyl)-5-(5-fluoro-2-pyridinyl)-1,3-oxazole
SMILESFc1ccc(-c2cnc(CCCl)o2)nc1
InChIInChI=1S/C10H8ClFN2O/c11-4-3-10-14-6-9(15-10)8-2-1-7(12)5-13-8/h1-2,5-6H,3-4H2
InChIKeyOAQBCEFIBVNSPZ-UHFFFAOYSA-N
XLogP2.66
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-5-(4-chloro-2-fluorophenyl)-1,3-oxazole
CID 65179480
2-(3-chloropropyl)-5-(2,4-difluorophenyl)-1,3-oxazole
CID 65179486
5-(2-chloro-4-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole
CID 65179612
5-(2-bromo-5-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole
CID 65179881
2-(2-chloroethyl)-5-[4-(2-methylpropyl)phenyl]-1,3-oxazole
CID 43144307
2-(2-chloroethyl)-5-(4-ethylphenyl)-1,3-oxazole
CID 43144322
2-(2-chloroethyl)-5-(2,5-difluoro-3-nitrophenyl)-1,3-oxazole
CID 107123771
2-(3-chloropropyl)-5-(2,6-difluoro-3-methylphenyl)-1,3-oxazole
CID 82818460
2-(2-chloroethyl)-5-propan-2-yl-1,3-oxazole
CID 65180225
2-(3-chloropropyl)-5-phenyl-1,3-oxazole
CID 10353470
5-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)-1,3-oxazole
CID 65180226
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65182883

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-(5-fluoro-2-pyridinyl)-1,3-oxazole?
The IUPAC name of 2-(2-chloroethyl)-5-(5-fluoro-2-pyridinyl)-1,3-oxazole (CID 83125150) is 2-(2-chloroethyl)-5-(5-fluoro-2-pyridinyl)-1,3-oxazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(5-fluoro-2-pyridinyl)-1,3-oxazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(5-fluoro-2-pyridinyl)-1,3-oxazole is Fc1ccc(-c2cnc(CCCl)o2)nc1.
What is the InChIKey of 2-(2-chloroethyl)-5-(5-fluoro-2-pyridinyl)-1,3-oxazole?
The InChIKey is OAQBCEFIBVNSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c11-4-3-10-14-6-9(15-10)8-2-1-7(12)5-13-8/h1-2,5-6H,3-4H2.
What are the key properties of 2-(2-chloroethyl)-5-(5-fluoro-2-pyridinyl)-1,3-oxazole?
2-(2-chloroethyl)-5-(5-fluoro-2-pyridinyl)-1,3-oxazole has a molecular weight of 226.64 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-(5-fluoro-2-pyridinyl)-1,3-oxazole is sourced from PubChem (CID 83125150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).