(5S)-5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole

C22H18FNO2 — CID 139070093

IUPAC(5S)-5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCc1ccc(C2=NO[C@H](c3ccc(F)c(Oc4ccccc4)c3)C2)cc1
InChIInChI=1S/C22H18FNO2/c1-15-7-9-16(10-8-15)20-14-21(26-24-20)17-11-12-19(23)22(13-17)25-18-5-3-2-4-6-18/h2-13,21H,14H2,1H3/t21-/m0/s1
InChIKeyBHYPSOZUQPNSOP-NRFANRHFSA-N
MW347.39 g/mol
LogP5.79
Rot. Bonds4

About (5S)-5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole

(5S)-5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 139070093) has the molecular formula C22H18FNO2 and a molecular weight of 347.39 g/mol. Its IUPAC name is (5S)-5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID139070093
Molecular FormulaC22H18FNO2
Molecular Weight347.39 g/mol
Exact Mass347.13
IUPAC Name(5S)-5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCc1ccc(C2=NO[C@H](c3ccc(F)c(Oc4ccccc4)c3)C2)cc1
InChIInChI=1S/C22H18FNO2/c1-15-7-9-16(10-8-15)20-14-21(26-24-20)17-11-12-19(23)22(13-17)25-18-5-3-2-4-6-18/h2-13,21H,14H2,1H3/t21-/m0/s1
InChIKeyBHYPSOZUQPNSOP-NRFANRHFSA-N
XLogP5.79
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.39
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 26433643
(5R)-5-benzyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 71561710
(5R)-3-(4-methoxyphenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 71561837
(5R)-5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 71562094
(5R)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562096
(5R)-3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562210
2-(4-fluorophenoxy)-1-(4-methoxyphenyl)-1-ethanone O-methyloxime
CID 5523604
(5S)-3-chloro-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole
CID 155344229
(5R)-3-bromo-5-[2-fluoro-4-methyl-5-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole
CID 155344280
(5R)-3-chloro-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole
CID 155344341
(5S)-3-bromo-5-[3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole
CID 155344469
(5R)-3-bromo-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole
CID 155732797

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole (CID 139070093) is (5S)-5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole is Cc1ccc(C2=NO[C@H](c3ccc(F)c(Oc4ccccc4)c3)C2)cc1.
What is the InChIKey of (5S)-5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is BHYPSOZUQPNSOP-NRFANRHFSA-N. The full InChI is InChI=1S/C22H18FNO2/c1-15-7-9-16(10-8-15)20-14-21(26-24-20)17-11-12-19(23)22(13-17)25-18-5-3-2-4-6-18/h2-13,21H,14H2,1H3/t21-/m0/s1.
What are the key properties of (5S)-5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole?
(5S)-5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 347.39 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 139070093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).