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

C20H22FNO2 — CID 122534309

IUPAC2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]-4,5-dihydro-1,3-oxazole
SMILESCOc1cc(F)c(C(C)C)cc1-c1ccc(C)cc1C1=NCCO1
InChIInChI=1S/C20H22FNO2/c1-12(2)15-10-16(19(23-4)11-18(15)21)14-6-5-13(3)9-17(14)20-22-7-8-24-20/h5-6,9-12H,7-8H2,1-4H3
InChIKeyZSOBBAIGGLIHGT-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.71
Rot. Bonds4

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

2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 122534309) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]-4,5-dihydro-1,3-oxazole
PubChem CID122534309
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]-4,5-dihydro-1,3-oxazole
SMILESCOc1cc(F)c(C(C)C)cc1-c1ccc(C)cc1C1=NCCO1
InChIInChI=1S/C20H22FNO2/c1-12(2)15-10-16(19(23-4)11-18(15)21)14-6-5-13(3)9-17(14)20-22-7-8-24-20/h5-6,9-12H,7-8H2,1-4H3
InChIKeyZSOBBAIGGLIHGT-UHFFFAOYSA-N
XLogP4.71
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-fluoro-5-methoxy-4-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene
CID 158608160
ethane;5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1H-indene
CID 143505651
2-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 160797416
1-(2,4-dimethylphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzene
CID 122534307
ethane;2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-3,5-dimethylpyridine
CID 143505536
1-fluoro-5-methoxy-2,4-di(propan-2-yl)benzene
CID 59409851
1-(4-ethylphenyl)-4-fluoro-2-methoxy-5-propan-2-ylbenzene
CID 59435901
[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-(trifluoromethyl)phenyl]methanol
CID 59287355
5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-pentan-3-ylpyridine
CID 143505570
(4S,5R)-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 90148854
1,2-difluoro-3-(2-methoxy-5-methylphenyl)-5-methylbenzene
CID 143974540
1-tert-butyl-4-fluoro-2-methoxy-5-propan-2-ylbenzene
CID 59135063

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]-4,5-dihydro-1,3-oxazole (CID 122534309) is 2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]-4,5-dihydro-1,3-oxazole is COc1cc(F)c(C(C)C)cc1-c1ccc(C)cc1C1=NCCO1.
What is the InChIKey of 2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is ZSOBBAIGGLIHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-12(2)15-10-16(19(23-4)11-18(15)21)14-6-5-13(3)9-17(14)20-22-7-8-24-20/h5-6,9-12H,7-8H2,1-4H3.
What are the key properties of 2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]-4,5-dihydro-1,3-oxazole?
2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 327.40 g/mol, XLogP of 4.71, 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-methylphenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 122534309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).