2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole

C20H19F4NO2 — CID 71157550

IUPAC2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCOc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1C1=NCCO1
InChIInChI=1S/C20H19F4NO2/c1-11(2)14-9-15(18(26-3)10-17(14)21)13-5-4-12(20(22,23)24)8-16(13)19-25-6-7-27-19/h4-5,8-11H,6-7H2,1-3H3
InChIKeyXHLQYAHBWHMCGE-UHFFFAOYSA-N
MW381.37 g/mol
LogP5.42
Rot. Bonds4

About 2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole

2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 71157550) has the molecular formula C20H19F4NO2 and a molecular weight of 381.37 g/mol. Its IUPAC name is 2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID71157550
Molecular FormulaC20H19F4NO2
Molecular Weight381.37 g/mol
Exact Mass381.14
IUPAC Name2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCOc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1C1=NCCO1
InChIInChI=1S/C20H19F4NO2/c1-11(2)14-9-15(18(26-3)10-17(14)21)13-5-4-12(20(22,23)24)8-16(13)19-25-6-7-27-19/h4-5,8-11H,6-7H2,1-3H3
InChIKeyXHLQYAHBWHMCGE-UHFFFAOYSA-N
XLogP5.42
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.37
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Phenylchroman-6-yl)-4,5-dihydrooxazole
CID 5272652
2-(3-Tert-butyl-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 162398654
2-[4-[6-(4,5-Dihydrooxazol-2-yl)chroman-2-yl]phenyl]-4,5-dihydrooxazole
CID 5272637
2-(3-phenyl-2H-chromen-6-yl)-4,5-dihydrooxazole
CID 5272651
2-(2,6-Difluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 19046996
2-(2,6-Difluorophenyl)-4-[[4-(2-ethoxyethyl)-2,6-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole
CID 19424079
2-(2,6-Difluorophenyl)-4-[(4-benzyl-2,3-dimethylphenoxy) methyl]-2-oxazoline
CID 19424093
2-(2,6-Difluorophenyl)-4-[[4-(4-ethylphenyl)-3,5-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole
CID 19424106
2-(2,6-Difluorophenyl)-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]-4,5-dihydro-1,3-oxazole
CID 19424110
2-(2,6-Difluorophenyl)-4-[[4-[(4-ethylphenoxy)methyl]-3,5-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole
CID 19424111
2-(2,6-Difluorophenyl)-4-{[4-(2-ethoxyethyl)-2-methylphenoxy]methyl}-2-oxazoline
CID 19424116
2-(2,6-Difluorophenyl)-4-[[4-(2-ethoxyethyl)-2,3-dimethylphenoxy]methyl]-4,5-dihydro-1,3-oxazole
CID 19424119

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 71157550) is 2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1C1=NCCO1.
What is the InChIKey of 2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is XHLQYAHBWHMCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4NO2/c1-11(2)14-9-15(18(26-3)10-17(14)21)13-5-4-12(20(22,23)24)8-16(13)19-25-6-7-27-19/h4-5,8-11H,6-7H2,1-3H3.
What are the key properties of 2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 381.37 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 71157550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).