2-[4-fluoro-2-[(2-methylphenyl)methyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole

C19H20FNO — CID 54011707

IUPAC2-[4-fluoro-2-[(2-methylphenyl)methyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1ccccc1Cc1cc(F)ccc1C1=NC(C)(C)CO1
InChIInChI=1S/C19H20FNO/c1-13-6-4-5-7-14(13)10-15-11-16(20)8-9-17(15)18-21-19(2,3)12-22-18/h4-9,11H,10,12H2,1-3H3
InChIKeyKSUYACKCDJRBJJ-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.28
Rot. Bonds3

About 2-[4-fluoro-2-[(2-methylphenyl)methyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole

2-[4-fluoro-2-[(2-methylphenyl)methyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 54011707) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-[4-fluoro-2-[(2-methylphenyl)methyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[4-fluoro-2-[(2-methylphenyl)methyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID54011707
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name2-[4-fluoro-2-[(2-methylphenyl)methyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1ccccc1Cc1cc(F)ccc1C1=NC(C)(C)CO1
InChIInChI=1S/C19H20FNO/c1-13-6-4-5-7-14(13)10-15-11-16(20)8-9-17(15)18-21-19(2,3)12-22-18/h4-9,11H,10,12H2,1-3H3
InChIKeyKSUYACKCDJRBJJ-UHFFFAOYSA-N
XLogP4.28
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-[(2-methylphenyl)methyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[4-fluoro-2-[(2-methylphenyl)methyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 54011707) is 2-[4-fluoro-2-[(2-methylphenyl)methyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[4-fluoro-2-[(2-methylphenyl)methyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[4-fluoro-2-[(2-methylphenyl)methyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole is Cc1ccccc1Cc1cc(F)ccc1C1=NC(C)(C)CO1.
What is the InChIKey of 2-[4-fluoro-2-[(2-methylphenyl)methyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is KSUYACKCDJRBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c1-13-6-4-5-7-14(13)10-15-11-16(20)8-9-17(15)18-21-19(2,3)12-22-18/h4-9,11H,10,12H2,1-3H3.
What are the key properties of 2-[4-fluoro-2-[(2-methylphenyl)methyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[4-fluoro-2-[(2-methylphenyl)methyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 297.37 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-[(2-methylphenyl)methyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 54011707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).