3-(4-fluorophenyl)-5-(4-phenylmethoxyphenyl)-4-(3-phenylpropyl)-2H-1,3-oxazole

C31H28FNO2 — CID 91258467

IUPAC3-(4-fluorophenyl)-5-(4-phenylmethoxyphenyl)-4-(3-phenylpropyl)-2H-1,3-oxazole
SMILESFc1ccc(N2COC(c3ccc(OCc4ccccc4)cc3)=C2CCCc2ccccc2)cc1
InChIInChI=1S/C31H28FNO2/c32-27-16-18-28(19-17-27)33-23-35-31(30(33)13-7-12-24-8-3-1-4-9-24)26-14-20-29(21-15-26)34-22-25-10-5-2-6-11-25/h1-6,8-11,14-21H,7,12-13,22-23H2
InChIKeySUKGDVHGZAAOKU-UHFFFAOYSA-N
MW465.57 g/mol
LogP7.59
Rot. Bonds9

About 3-(4-fluorophenyl)-5-(4-phenylmethoxyphenyl)-4-(3-phenylpropyl)-2H-1,3-oxazole

3-(4-fluorophenyl)-5-(4-phenylmethoxyphenyl)-4-(3-phenylpropyl)-2H-1,3-oxazole (PubChem CID 91258467) has the molecular formula C31H28FNO2 and a molecular weight of 465.57 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(4-phenylmethoxyphenyl)-4-(3-phenylpropyl)-2H-1,3-oxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(4-phenylmethoxyphenyl)-4-(3-phenylpropyl)-2H-1,3-oxazole
PubChem CID91258467
Molecular FormulaC31H28FNO2
Molecular Weight465.57 g/mol
Exact Mass465.21
IUPAC Name3-(4-fluorophenyl)-5-(4-phenylmethoxyphenyl)-4-(3-phenylpropyl)-2H-1,3-oxazole
SMILESFc1ccc(N2COC(c3ccc(OCc4ccccc4)cc3)=C2CCCc2ccccc2)cc1
InChIInChI=1S/C31H28FNO2/c32-27-16-18-28(19-17-27)33-23-35-31(30(33)13-7-12-24-8-3-1-4-9-24)26-14-20-29(21-15-26)34-22-25-10-5-2-6-11-25/h1-6,8-11,14-21H,7,12-13,22-23H2
InChIKeySUKGDVHGZAAOKU-UHFFFAOYSA-N
XLogP7.59
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.57
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Cambridge id 5268729
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1-(4-Fluoro-phenyl)-4-[3-phenyl-3-(4-trifluoromethyl-phenoxy)-propyl]-piperazine
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N-{2-[(3-fluorobenzyl)oxy]benzyl}aniline
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1-(4-Methoxyphenyl)-4-(3-phenyl-3-(4-(trifluoromethyl)phenoxy)propyl)piperazine
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4-[[4-(2-(18F)fluoroethoxy)phenyl]methoxy]-N,N-dimethyl(18F)aniline
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1-(4-Fluorophenyl)-4-(4-naphthalen-2-yloxybutyl)piperazine
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CID 155510410

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(4-phenylmethoxyphenyl)-4-(3-phenylpropyl)-2H-1,3-oxazole?
The IUPAC name of 3-(4-fluorophenyl)-5-(4-phenylmethoxyphenyl)-4-(3-phenylpropyl)-2H-1,3-oxazole (CID 91258467) is 3-(4-fluorophenyl)-5-(4-phenylmethoxyphenyl)-4-(3-phenylpropyl)-2H-1,3-oxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(4-phenylmethoxyphenyl)-4-(3-phenylpropyl)-2H-1,3-oxazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-(4-phenylmethoxyphenyl)-4-(3-phenylpropyl)-2H-1,3-oxazole is Fc1ccc(N2COC(c3ccc(OCc4ccccc4)cc3)=C2CCCc2ccccc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(4-phenylmethoxyphenyl)-4-(3-phenylpropyl)-2H-1,3-oxazole?
The InChIKey is SUKGDVHGZAAOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28FNO2/c32-27-16-18-28(19-17-27)33-23-35-31(30(33)13-7-12-24-8-3-1-4-9-24)26-14-20-29(21-15-26)34-22-25-10-5-2-6-11-25/h1-6,8-11,14-21H,7,12-13,22-23H2.
What are the key properties of 3-(4-fluorophenyl)-5-(4-phenylmethoxyphenyl)-4-(3-phenylpropyl)-2H-1,3-oxazole?
3-(4-fluorophenyl)-5-(4-phenylmethoxyphenyl)-4-(3-phenylpropyl)-2H-1,3-oxazole has a molecular weight of 465.57 g/mol, XLogP of 7.59, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(4-phenylmethoxyphenyl)-4-(3-phenylpropyl)-2H-1,3-oxazole is sourced from PubChem (CID 91258467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).