5-(fluoromethyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole

C11H12FNO — CID 154714052

IUPAC5-(fluoromethyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCc1ccc(C2=NOC(CF)C2)cc1
InChIInChI=1S/C11H12FNO/c1-8-2-4-9(5-3-8)11-6-10(7-12)14-13-11/h2-5,10H,6-7H2,1H3
InChIKeyGVECAOXZZHPNBW-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.46
Rot. Bonds2

About 5-(fluoromethyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole

5-(fluoromethyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 154714052) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 5-(fluoromethyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(fluoromethyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID154714052
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name5-(fluoromethyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCc1ccc(C2=NOC(CF)C2)cc1
InChIInChI=1S/C11H12FNO/c1-8-2-4-9(5-3-8)11-6-10(7-12)14-13-11/h2-5,10H,6-7H2,1H3
InChIKeyGVECAOXZZHPNBW-UHFFFAOYSA-N
XLogP2.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(fluoromethyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole (CID 154714052) is 5-(fluoromethyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(fluoromethyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(fluoromethyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole is Cc1ccc(C2=NOC(CF)C2)cc1.
What is the InChIKey of 5-(fluoromethyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is GVECAOXZZHPNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-8-2-4-9(5-3-8)11-6-10(7-12)14-13-11/h2-5,10H,6-7H2,1H3.
What are the key properties of 5-(fluoromethyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole?
5-(fluoromethyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 193.22 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 154714052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).