3-(1,3-benzodioxol-5-yl)-4-(4-fluoro-3-methoxyphenyl)-5-methyl-1,2-oxazole

C18H14FNO4 — CID 24761325

IUPAC3-(1,3-benzodioxol-5-yl)-4-(4-fluoro-3-methoxyphenyl)-5-methyl-1,2-oxazole
SMILESCOc1cc(-c2c(-c3ccc4c(c3)OCO4)noc2C)ccc1F
InChIInChI=1S/C18H14FNO4/c1-10-17(11-3-5-13(19)15(7-11)21-2)18(20-24-10)12-4-6-14-16(8-12)23-9-22-14/h3-8H,9H2,1-2H3
InChIKeyMEJIMEZUTJVUFR-UHFFFAOYSA-N
MW327.31 g/mol
LogP4.19
Rot. Bonds3

About 3-(1,3-benzodioxol-5-yl)-4-(4-fluoro-3-methoxyphenyl)-5-methyl-1,2-oxazole

3-(1,3-benzodioxol-5-yl)-4-(4-fluoro-3-methoxyphenyl)-5-methyl-1,2-oxazole (PubChem CID 24761325) has the molecular formula C18H14FNO4 and a molecular weight of 327.31 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-4-(4-fluoro-3-methoxyphenyl)-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-4-(4-fluoro-3-methoxyphenyl)-5-methyl-1,2-oxazole
PubChem CID24761325
Molecular FormulaC18H14FNO4
Molecular Weight327.31 g/mol
Exact Mass327.09
IUPAC Name3-(1,3-benzodioxol-5-yl)-4-(4-fluoro-3-methoxyphenyl)-5-methyl-1,2-oxazole
SMILESCOc1cc(-c2c(-c3ccc4c(c3)OCO4)noc2C)ccc1F
InChIInChI=1S/C18H14FNO4/c1-10-17(11-3-5-13(19)15(7-11)21-2)18(20-24-10)12-4-6-14-16(8-12)23-9-22-14/h3-8H,9H2,1-2H3
InChIKeyMEJIMEZUTJVUFR-UHFFFAOYSA-N
XLogP4.19
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-4-(4-fluoro-3-methoxyphenyl)-5-methyl-1,2-oxazole?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-4-(4-fluoro-3-methoxyphenyl)-5-methyl-1,2-oxazole (CID 24761325) is 3-(1,3-benzodioxol-5-yl)-4-(4-fluoro-3-methoxyphenyl)-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-4-(4-fluoro-3-methoxyphenyl)-5-methyl-1,2-oxazole?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-4-(4-fluoro-3-methoxyphenyl)-5-methyl-1,2-oxazole is COc1cc(-c2c(-c3ccc4c(c3)OCO4)noc2C)ccc1F.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-4-(4-fluoro-3-methoxyphenyl)-5-methyl-1,2-oxazole?
The InChIKey is MEJIMEZUTJVUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4/c1-10-17(11-3-5-13(19)15(7-11)21-2)18(20-24-10)12-4-6-14-16(8-12)23-9-22-14/h3-8H,9H2,1-2H3.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-4-(4-fluoro-3-methoxyphenyl)-5-methyl-1,2-oxazole?
3-(1,3-benzodioxol-5-yl)-4-(4-fluoro-3-methoxyphenyl)-5-methyl-1,2-oxazole has a molecular weight of 327.31 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-4-(4-fluoro-3-methoxyphenyl)-5-methyl-1,2-oxazole is sourced from PubChem (CID 24761325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).