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

C19H19F2NO2 — CID 174723614

IUPAC4-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCc1ccccc1C1=NOC(C)C1COCc1c(F)cccc1F
InChIInChI=1S/C19H19F2NO2/c1-12-6-3-4-7-14(12)19-15(13(2)24-22-19)10-23-11-16-17(20)8-5-9-18(16)21/h3-9,13,15H,10-11H2,1-2H3
InChIKeyPGHRQLQCFLNUTA-UHFFFAOYSA-N
MW331.36 g/mol
LogP4.23
Rot. Bonds5

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

4-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 174723614) has the molecular formula C19H19F2NO2 and a molecular weight of 331.36 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID174723614
Molecular FormulaC19H19F2NO2
Molecular Weight331.36 g/mol
Exact Mass331.14
IUPAC Name4-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCc1ccccc1C1=NOC(C)C1COCc1c(F)cccc1F
InChIInChI=1S/C19H19F2NO2/c1-12-6-3-4-7-14(12)19-15(13(2)24-22-19)10-23-11-16-17(20)8-5-9-18(16)21/h3-9,13,15H,10-11H2,1-2H3
InChIKeyPGHRQLQCFLNUTA-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 4-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazole (CID 174723614) is 4-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 4-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazole is Cc1ccccc1C1=NOC(C)C1COCc1c(F)cccc1F.
What is the InChIKey of 4-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is PGHRQLQCFLNUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO2/c1-12-6-3-4-7-14(12)19-15(13(2)24-22-19)10-23-11-16-17(20)8-5-9-18(16)21/h3-9,13,15H,10-11H2,1-2H3.
What are the key properties of 4-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazole?
4-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 331.36 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 4-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 174723614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).