(5R)-5-(4-fluoro-3-phenoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole

C21H16FNO2 — CID 139070320

IUPAC(5R)-5-(4-fluoro-3-phenoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESFc1ccc([C@H]2CC(c3ccccc3)=NO2)cc1Oc1ccccc1
InChIInChI=1S/C21H16FNO2/c22-18-12-11-16(13-21(18)24-17-9-5-2-6-10-17)20-14-19(23-25-20)15-7-3-1-4-8-15/h1-13,20H,14H2/t20-/m1/s1
InChIKeyYKOREDQWNNRAPU-HXUWFJFHSA-N
MW333.36 g/mol
LogP5.48
Rot. Bonds4

About (5R)-5-(4-fluoro-3-phenoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole

(5R)-5-(4-fluoro-3-phenoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 139070320) has the molecular formula C21H16FNO2 and a molecular weight of 333.36 g/mol. Its IUPAC name is (5R)-5-(4-fluoro-3-phenoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-(4-fluoro-3-phenoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID139070320
Molecular FormulaC21H16FNO2
Molecular Weight333.36 g/mol
Exact Mass333.12
IUPAC Name(5R)-5-(4-fluoro-3-phenoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESFc1ccc([C@H]2CC(c3ccccc3)=NO2)cc1Oc1ccccc1
InChIInChI=1S/C21H16FNO2/c22-18-12-11-16(13-21(18)24-17-9-5-2-6-10-17)20-14-19(23-25-20)15-7-3-1-4-8-15/h1-13,20H,14H2/t20-/m1/s1
InChIKeyYKOREDQWNNRAPU-HXUWFJFHSA-N
XLogP5.48
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.36
LogP ≤ 55.48
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-bromo-5-[3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole
CID 155344469
(4-Isobutoxyphenyl)(phenyl)methanone oxime
CID 5717805
(5S)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 26433642
(5S)-5-benzyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 71561711
(5S)-5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 71562095

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-fluoro-3-phenoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-5-(4-fluoro-3-phenoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole (CID 139070320) is (5R)-5-(4-fluoro-3-phenoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-5-(4-fluoro-3-phenoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-5-(4-fluoro-3-phenoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole is Fc1ccc([C@H]2CC(c3ccccc3)=NO2)cc1Oc1ccccc1.
What is the InChIKey of (5R)-5-(4-fluoro-3-phenoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is YKOREDQWNNRAPU-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H16FNO2/c22-18-12-11-16(13-21(18)24-17-9-5-2-6-10-17)20-14-19(23-25-20)15-7-3-1-4-8-15/h1-13,20H,14H2/t20-/m1/s1.
What are the key properties of (5R)-5-(4-fluoro-3-phenoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
(5R)-5-(4-fluoro-3-phenoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 333.36 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-fluoro-3-phenoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 139070320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).