4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,3-oxazole

C18H15F2NO — CID 163855604

IUPAC4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,3-oxazole
SMILESCc1nc(C2C=CC(F)=CC2)c(/C=C/c2ccc(F)cc2)o1
InChIInChI=1S/C18H15F2NO/c1-12-21-18(14-5-9-16(20)10-6-14)17(22-12)11-4-13-2-7-15(19)8-3-13/h2-5,7-11,14H,6H2,1H3/b11-4+
InChIKeyOXZYRPKMFJAWPC-NYYWCZLTSA-N
MW299.32 g/mol
LogP5.19
Rot. Bonds3

About 4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,3-oxazole

4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,3-oxazole (PubChem CID 163855604) has the molecular formula C18H15F2NO and a molecular weight of 299.32 g/mol. Its IUPAC name is 4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,3-oxazole
PubChem CID163855604
Molecular FormulaC18H15F2NO
Molecular Weight299.32 g/mol
Exact Mass299.11
IUPAC Name4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,3-oxazole
SMILESCc1nc(C2C=CC(F)=CC2)c(/C=C/c2ccc(F)cc2)o1
InChIInChI=1S/C18H15F2NO/c1-12-21-18(14-5-9-16(20)10-6-14)17(22-12)11-4-13-2-7-15(19)8-3-13/h2-5,7-11,14H,6H2,1H3/b11-4+
InChIKeyOXZYRPKMFJAWPC-NYYWCZLTSA-N
XLogP5.19
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.32
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Benzyl-2-tert-butyl-5-(trifluoromethyl)-1,3-oxazole
CID 10779326
3-[2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazol-4-yl]propan-1-ol
CID 15324299
4-phenyl-2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,3-oxazole
CID 135030030
3-[2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazol-4-yl]propyl 2,2,2-trifluoroacetate
CID 10873219
4-tert-butyl-5-[(E)-2-phenylethenyl]-2-(trifluoromethyl)-1,3-oxazole
CID 153766013
4,5-Dimethyl-2-phenethyl-oxazole
CID 12742210
4-Ethyl-2-methyl-5-phenyl-1,3-oxazole
CID 14342158
2-methyl-4-phenyl-5-[(E)-2-phenylethenyl]-1,3-oxazole
CID 101900791
4-Benzyl-2,5-bis(trifluoromethyl)-1,3-oxazole
CID 322681
4-Cyclohexyl-5-(3-fluorophenyl)-2-methyloxazole
CID 10901338
4-Cyclohexyl-2-ethyl-5-(3-fluorophenyl)-1,3-oxazole
CID 11129474
2-[5-methyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]acetonitrile
CID 13282946

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,3-oxazole?
The IUPAC name of 4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,3-oxazole (CID 163855604) is 4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,3-oxazole is Cc1nc(C2C=CC(F)=CC2)c(/C=C/c2ccc(F)cc2)o1.
What is the InChIKey of 4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,3-oxazole?
The InChIKey is OXZYRPKMFJAWPC-NYYWCZLTSA-N. The full InChI is InChI=1S/C18H15F2NO/c1-12-21-18(14-5-9-16(20)10-6-14)17(22-12)11-4-13-2-7-15(19)8-3-13/h2-5,7-11,14H,6H2,1H3/b11-4+.
What are the key properties of 4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,3-oxazole?
4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,3-oxazole has a molecular weight of 299.32 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-[(E)-2-(4-fluorophenyl)ethenyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 163855604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).