4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole

C18H16FNO4 — CID 70693208

IUPAC4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1cc(-c2oncc2-c2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C18H16FNO4/c1-21-15-8-12(9-16(22-2)18(15)23-3)17-14(10-20-24-17)11-4-6-13(19)7-5-11/h4-10H,1-3H3
InChIKeyYAENNCVMFCMQJW-UHFFFAOYSA-N
MW329.33 g/mol
LogP4.17
Rot. Bonds5

About 4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole

4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole (PubChem CID 70693208) has the molecular formula C18H16FNO4 and a molecular weight of 329.33 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
PubChem CID70693208
Molecular FormulaC18H16FNO4
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1cc(-c2oncc2-c2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C18H16FNO4/c1-21-15-8-12(9-16(22-2)18(15)23-3)17-14(10-20-24-17)11-4-6-13(19)7-5-11/h4-10H,1-3H3
InChIKeyYAENNCVMFCMQJW-UHFFFAOYSA-N
XLogP4.17
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The IUPAC name of 4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole (CID 70693208) is 4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole is COc1cc(-c2oncc2-c2ccc(F)cc2)cc(OC)c1OC.
What is the InChIKey of 4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The InChIKey is YAENNCVMFCMQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4/c1-21-15-8-12(9-16(22-2)18(15)23-3)17-14(10-20-24-17)11-4-6-13(19)7-5-11/h4-10H,1-3H3.
What are the key properties of 4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole has a molecular weight of 329.33 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 70693208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).