2-[(Z)-2-(3,4-dimethoxyphenyl)-1-fluoroethenyl]-5-(4-methoxyphenyl)-1,3-oxazole

C20H18FNO4 — CID 102202954

IUPAC2-[(Z)-2-(3,4-dimethoxyphenyl)-1-fluoroethenyl]-5-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2cnc(/C(F)=C/c3ccc(OC)c(OC)c3)o2)cc1
InChIInChI=1S/C20H18FNO4/c1-23-15-7-5-14(6-8-15)19-12-22-20(26-19)16(21)10-13-4-9-17(24-2)18(11-13)25-3/h4-12H,1-3H3/b16-10-
InChIKeyRHFDMWIVUUZOEX-YBEGLDIGSA-N
MW355.37 g/mol
LogP4.84
Rot. Bonds6

About 2-[(Z)-2-(3,4-dimethoxyphenyl)-1-fluoroethenyl]-5-(4-methoxyphenyl)-1,3-oxazole

2-[(Z)-2-(3,4-dimethoxyphenyl)-1-fluoroethenyl]-5-(4-methoxyphenyl)-1,3-oxazole (PubChem CID 102202954) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-[(Z)-2-(3,4-dimethoxyphenyl)-1-fluoroethenyl]-5-(4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-[(Z)-2-(3,4-dimethoxyphenyl)-1-fluoroethenyl]-5-(4-methoxyphenyl)-1,3-oxazole
PubChem CID102202954
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC Name2-[(Z)-2-(3,4-dimethoxyphenyl)-1-fluoroethenyl]-5-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2cnc(/C(F)=C/c3ccc(OC)c(OC)c3)o2)cc1
InChIInChI=1S/C20H18FNO4/c1-23-15-7-5-14(6-8-15)19-12-22-20(26-19)16(21)10-13-4-9-17(24-2)18(11-13)25-3/h4-12H,1-3H3/b16-10-
InChIKeyRHFDMWIVUUZOEX-YBEGLDIGSA-N
XLogP4.84
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-5-phenyl-1,3-oxazole
CID 8814981
5-(4-chlorophenyl)-2-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole
CID 9036392
4-[(Z)-2-chloro-2-(5-phenyl-1,3-oxazol-2-yl)ethenyl]-2,6-dimethoxyphenol
CID 135573709
5-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 9041813
[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone
CID 16949896
2-bromo-5-(4-methoxyphenyl)-1,3-oxazole
CID 117259601
5-(4-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazole
CID 146168552
2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,3-oxazole
CID 58157224
1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene
CID 15353455
[5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine
CID 82360062
5-(3,4-dimethoxyphenyl)-2-propan-2-yl-1,3-oxazole
CID 13268419
5-(4-methoxy-3-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid
CID 82049724

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(3,4-dimethoxyphenyl)-1-fluoroethenyl]-5-(4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 2-[(Z)-2-(3,4-dimethoxyphenyl)-1-fluoroethenyl]-5-(4-methoxyphenyl)-1,3-oxazole (CID 102202954) is 2-[(Z)-2-(3,4-dimethoxyphenyl)-1-fluoroethenyl]-5-(4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 2-[(Z)-2-(3,4-dimethoxyphenyl)-1-fluoroethenyl]-5-(4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 2-[(Z)-2-(3,4-dimethoxyphenyl)-1-fluoroethenyl]-5-(4-methoxyphenyl)-1,3-oxazole is COc1ccc(-c2cnc(/C(F)=C/c3ccc(OC)c(OC)c3)o2)cc1.
What is the InChIKey of 2-[(Z)-2-(3,4-dimethoxyphenyl)-1-fluoroethenyl]-5-(4-methoxyphenyl)-1,3-oxazole?
The InChIKey is RHFDMWIVUUZOEX-YBEGLDIGSA-N. The full InChI is InChI=1S/C20H18FNO4/c1-23-15-7-5-14(6-8-15)19-12-22-20(26-19)16(21)10-13-4-9-17(24-2)18(11-13)25-3/h4-12H,1-3H3/b16-10-.
What are the key properties of 2-[(Z)-2-(3,4-dimethoxyphenyl)-1-fluoroethenyl]-5-(4-methoxyphenyl)-1,3-oxazole?
2-[(Z)-2-(3,4-dimethoxyphenyl)-1-fluoroethenyl]-5-(4-methoxyphenyl)-1,3-oxazole has a molecular weight of 355.37 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(3,4-dimethoxyphenyl)-1-fluoroethenyl]-5-(4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 102202954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).