5-[(2-fluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4H-1,2-oxazole

C19H20FNO2 — CID 89491877

IUPAC5-[(2-fluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4H-1,2-oxazole
SMILESCc1ccccc1C1=NOC(C)(COCc2ccccc2F)C1
InChIInChI=1S/C19H20FNO2/c1-14-7-3-5-9-16(14)18-11-19(2,23-21-18)13-22-12-15-8-4-6-10-17(15)20/h3-10H,11-13H2,1-2H3
InChIKeyIBNPOWCIVPZEDD-UHFFFAOYSA-N
MW313.37 g/mol
LogP4.23
Rot. Bonds5

About 5-[(2-fluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4H-1,2-oxazole

5-[(2-fluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4H-1,2-oxazole (PubChem CID 89491877) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4H-1,2-oxazole
PubChem CID89491877
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name5-[(2-fluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4H-1,2-oxazole
SMILESCc1ccccc1C1=NOC(C)(COCc2ccccc2F)C1
InChIInChI=1S/C19H20FNO2/c1-14-7-3-5-9-16(14)18-11-19(2,23-21-18)13-22-12-15-8-4-6-10-17(15)20/h3-10H,11-13H2,1-2H3
InChIKeyIBNPOWCIVPZEDD-UHFFFAOYSA-N
XLogP4.23
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4H-1,2-oxazole?
The IUPAC name of 5-[(2-fluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4H-1,2-oxazole (CID 89491877) is 5-[(2-fluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4H-1,2-oxazole.
What is the SMILES notation for 5-[(2-fluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4H-1,2-oxazole?
The canonical SMILES for 5-[(2-fluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4H-1,2-oxazole is Cc1ccccc1C1=NOC(C)(COCc2ccccc2F)C1.
What is the InChIKey of 5-[(2-fluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4H-1,2-oxazole?
The InChIKey is IBNPOWCIVPZEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-14-7-3-5-9-16(14)18-11-19(2,23-21-18)13-22-12-15-8-4-6-10-17(15)20/h3-10H,11-13H2,1-2H3.
What are the key properties of 5-[(2-fluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4H-1,2-oxazole?
5-[(2-fluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4H-1,2-oxazole has a molecular weight of 313.37 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4H-1,2-oxazole is sourced from PubChem (CID 89491877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).