5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(4-methylphenyl)-4H-1,2-oxazole

C19H19F2NO2 — CID 89491853

IUPAC5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(4-methylphenyl)-4H-1,2-oxazole
SMILESCc1ccc(C2=NOC(C)(COCc3c(F)cccc3F)C2)cc1
InChIInChI=1S/C19H19F2NO2/c1-13-6-8-14(9-7-13)18-10-19(2,24-22-18)12-23-11-15-16(20)4-3-5-17(15)21/h3-9H,10-12H2,1-2H3
InChIKeySTQKTUHSGMQDQK-UHFFFAOYSA-N
MW331.36 g/mol
LogP4.37
Rot. Bonds5

About 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(4-methylphenyl)-4H-1,2-oxazole

5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(4-methylphenyl)-4H-1,2-oxazole (PubChem CID 89491853) has the molecular formula C19H19F2NO2 and a molecular weight of 331.36 g/mol. Its IUPAC name is 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(4-methylphenyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(4-methylphenyl)-4H-1,2-oxazole
PubChem CID89491853
Molecular FormulaC19H19F2NO2
Molecular Weight331.36 g/mol
Exact Mass331.14
IUPAC Name5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(4-methylphenyl)-4H-1,2-oxazole
SMILESCc1ccc(C2=NOC(C)(COCc3c(F)cccc3F)C2)cc1
InChIInChI=1S/C19H19F2NO2/c1-13-6-8-14(9-7-13)18-10-19(2,24-22-18)12-23-11-15-16(20)4-3-5-17(15)21/h3-9H,10-12H2,1-2H3
InChIKeySTQKTUHSGMQDQK-UHFFFAOYSA-N
XLogP4.37
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(4-methylphenyl)-4H-1,2-oxazole?
The IUPAC name of 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(4-methylphenyl)-4H-1,2-oxazole (CID 89491853) is 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(4-methylphenyl)-4H-1,2-oxazole.
What is the SMILES notation for 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(4-methylphenyl)-4H-1,2-oxazole?
The canonical SMILES for 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(4-methylphenyl)-4H-1,2-oxazole is Cc1ccc(C2=NOC(C)(COCc3c(F)cccc3F)C2)cc1.
What is the InChIKey of 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(4-methylphenyl)-4H-1,2-oxazole?
The InChIKey is STQKTUHSGMQDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO2/c1-13-6-8-14(9-7-13)18-10-19(2,24-22-18)12-23-11-15-16(20)4-3-5-17(15)21/h3-9H,10-12H2,1-2H3.
What are the key properties of 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(4-methylphenyl)-4H-1,2-oxazole?
5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(4-methylphenyl)-4H-1,2-oxazole has a molecular weight of 331.36 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(4-methylphenyl)-4H-1,2-oxazole is sourced from PubChem (CID 89491853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).