5-(5-fluoro-2-prop-2-ynoxyphenyl)-1,2-oxazole

C12H8FNO2 — CID 138455242

IUPAC5-(5-fluoro-2-prop-2-ynoxyphenyl)-1,2-oxazole
SMILESC#CCOc1ccc(F)cc1-c1ccno1
InChIInChI=1S/C12H8FNO2/c1-2-7-15-11-4-3-9(13)8-10(11)12-5-6-14-16-12/h1,3-6,8H,7H2
InChIKeyLPVDYSPJVIDSRG-UHFFFAOYSA-N
MW217.20 g/mol
LogP2.49
Rot. Bonds3

About 5-(5-fluoro-2-prop-2-ynoxyphenyl)-1,2-oxazole

5-(5-fluoro-2-prop-2-ynoxyphenyl)-1,2-oxazole (PubChem CID 138455242) has the molecular formula C12H8FNO2 and a molecular weight of 217.20 g/mol. Its IUPAC name is 5-(5-fluoro-2-prop-2-ynoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(5-fluoro-2-prop-2-ynoxyphenyl)-1,2-oxazole
PubChem CID138455242
Molecular FormulaC12H8FNO2
Molecular Weight217.20 g/mol
Exact Mass217.05
IUPAC Name5-(5-fluoro-2-prop-2-ynoxyphenyl)-1,2-oxazole
SMILESC#CCOc1ccc(F)cc1-c1ccno1
InChIInChI=1S/C12H8FNO2/c1-2-7-15-11-4-3-9(13)8-10(11)12-5-6-14-16-12/h1,3-6,8H,7H2
InChIKeyLPVDYSPJVIDSRG-UHFFFAOYSA-N
XLogP2.49
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-Isoxazolyl)phenol
CID 578506
5-(4-Butoxyphenyl)-1,2-oxazole
CID 10353296
4-Fluoro-2-(5-isoxazolyl)phenol
CID 2758985
Ethyl [2-(5-isoxazolyl)phenoxy]acetate
CID 902453
5-(3-Butoxy-phenyl)-isoxazole
CID 11160258
5-(2-Butoxy-phenyl)-isoxazole
CID 11183547
3-Methyl-5-(2-phenylmethoxyphenyl)-1,2-oxazole
CID 164614812
Ethyl 2-(2-(isoxazol-5-yl)-4-methylphenoxy)acetate
CID 902454
2-(2-Isoxazol-5-yl-4-methylphenoxy)acetic acid
CID 716047
5-(3-Methoxyphenyl)-1,2-oxazole
CID 64984921
(3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-6-fluorochromen-4-one
CID 75462971
(2S)-4-methyl-1-[2-(1,2-oxazol-5-yl)phenoxy]pentan-2-amine
CID 134158165

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-prop-2-ynoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-(5-fluoro-2-prop-2-ynoxyphenyl)-1,2-oxazole (CID 138455242) is 5-(5-fluoro-2-prop-2-ynoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-(5-fluoro-2-prop-2-ynoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-(5-fluoro-2-prop-2-ynoxyphenyl)-1,2-oxazole is C#CCOc1ccc(F)cc1-c1ccno1.
What is the InChIKey of 5-(5-fluoro-2-prop-2-ynoxyphenyl)-1,2-oxazole?
The InChIKey is LPVDYSPJVIDSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO2/c1-2-7-15-11-4-3-9(13)8-10(11)12-5-6-14-16-12/h1,3-6,8H,7H2.
What are the key properties of 5-(5-fluoro-2-prop-2-ynoxyphenyl)-1,2-oxazole?
5-(5-fluoro-2-prop-2-ynoxyphenyl)-1,2-oxazole has a molecular weight of 217.20 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-prop-2-ynoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 138455242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).