5-[(2-chloro-4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole

C16H11ClFNO2 — CID 134010105

IUPAC5-[(2-chloro-4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole
SMILESFc1ccc(OCc2cc(-c3ccccc3)no2)c(Cl)c1
InChIInChI=1S/C16H11ClFNO2/c17-14-8-12(18)6-7-16(14)20-10-13-9-15(19-21-13)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyMYAKOMIFGYTLCP-UHFFFAOYSA-N
MW303.72 g/mol
LogP4.71
Rot. Bonds4

About 5-[(2-chloro-4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole

5-[(2-chloro-4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole (PubChem CID 134010105) has the molecular formula C16H11ClFNO2 and a molecular weight of 303.72 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(2-chloro-4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole
PubChem CID134010105
Molecular FormulaC16H11ClFNO2
Molecular Weight303.72 g/mol
Exact Mass303.05
IUPAC Name5-[(2-chloro-4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole
SMILESFc1ccc(OCc2cc(-c3ccccc3)no2)c(Cl)c1
InChIInChI=1S/C16H11ClFNO2/c17-14-8-12(18)6-7-16(14)20-10-13-9-15(19-21-13)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyMYAKOMIFGYTLCP-UHFFFAOYSA-N
XLogP4.71
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-chlorophenoxy)methyl]-3-(4-chlorophenyl)-1,2-oxazole
CID 146097170
5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 46738434
5-[(2-iodophenoxy)methyl]-3-phenyl-1,2-oxazole
CID 60522936
2-[(3-phenyl-1,2-oxazol-5-yl)methoxy]aniline
CID 61027686
5-[(4-chloro-2-methylphenoxy)methyl]-3-phenyl-1,2-oxazole
CID 1484373
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
[5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone
CID 51600569
3-(4-fluorophenyl)-5-[(2-phenylquinazolin-4-yl)oxymethyl]-1,2-oxazole
CID 71761123
5-[(2-chloro-4-phenylphenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 18290343
5-[(2-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid
CID 62267976
[5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 25369632

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole (CID 134010105) is 5-[(2-chloro-4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-[(2-chloro-4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-[(2-chloro-4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole is Fc1ccc(OCc2cc(-c3ccccc3)no2)c(Cl)c1.
What is the InChIKey of 5-[(2-chloro-4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole?
The InChIKey is MYAKOMIFGYTLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO2/c17-14-8-12(18)6-7-16(14)20-10-13-9-15(19-21-13)11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 5-[(2-chloro-4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole?
5-[(2-chloro-4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole has a molecular weight of 303.72 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 134010105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).