2-(2,6-difluorophenyl)-4-[4-[(6-methoxyindol-1-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole

C25H20F2N2O2 — CID 164835865

IUPAC2-(2,6-difluorophenyl)-4-[4-[(6-methoxyindol-1-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc2ccn(Cc3ccc(C4COC(c5c(F)cccc5F)=N4)cc3)c2c1
InChIInChI=1S/C25H20F2N2O2/c1-30-19-10-9-18-11-12-29(23(18)13-19)14-16-5-7-17(8-6-16)22-15-31-25(28-22)24-20(26)3-2-4-21(24)27/h2-13,22H,14-15H2,1H3
InChIKeyPYOJNNYFJBEMNQ-UHFFFAOYSA-N
MW418.44 g/mol
LogP5.49
Rot. Bonds5

About 2-(2,6-difluorophenyl)-4-[4-[(6-methoxyindol-1-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole

2-(2,6-difluorophenyl)-4-[4-[(6-methoxyindol-1-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 164835865) has the molecular formula C25H20F2N2O2 and a molecular weight of 418.44 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[4-[(6-methoxyindol-1-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[4-[(6-methoxyindol-1-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID164835865
Molecular FormulaC25H20F2N2O2
Molecular Weight418.44 g/mol
Exact Mass418.15
IUPAC Name2-(2,6-difluorophenyl)-4-[4-[(6-methoxyindol-1-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc2ccn(Cc3ccc(C4COC(c5c(F)cccc5F)=N4)cc3)c2c1
InChIInChI=1S/C25H20F2N2O2/c1-30-19-10-9-18-11-12-29(23(18)13-19)14-16-5-7-17(8-6-16)22-15-31-25(28-22)24-20(26)3-2-4-21(24)27/h2-13,22H,14-15H2,1H3
InChIKeyPYOJNNYFJBEMNQ-UHFFFAOYSA-N
XLogP5.49
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.44
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[4-[(6-methoxyindol-1-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[4-[(6-methoxyindol-1-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole (CID 164835865) is 2-(2,6-difluorophenyl)-4-[4-[(6-methoxyindol-1-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[4-[(6-methoxyindol-1-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[4-[(6-methoxyindol-1-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole is COc1ccc2ccn(Cc3ccc(C4COC(c5c(F)cccc5F)=N4)cc3)c2c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[4-[(6-methoxyindol-1-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is PYOJNNYFJBEMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O2/c1-30-19-10-9-18-11-12-29(23(18)13-19)14-16-5-7-17(8-6-16)22-15-31-25(28-22)24-20(26)3-2-4-21(24)27/h2-13,22H,14-15H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-4-[4-[(6-methoxyindol-1-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-[4-[(6-methoxyindol-1-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 418.44 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[4-[(6-methoxyindol-1-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 164835865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).