5-tert-butyl-4-[2-[1-[1-[2-[5-tert-butyl-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethoxy]ethyl]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole

C42H44F4N2O3 — CID 175665295

IUPAC5-tert-butyl-4-[2-[1-[1-[2-[5-tert-butyl-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethoxy]ethyl]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESCC(OC(C)c1ccccc1C1N=C(c2c(F)cccc2F)OC1C(C)(C)C)c1ccccc1C1N=C(c2c(F)cccc2F)OC1C(C)(C)C
InChIInChI=1S/C42H44F4N2O3/c1-23(25-15-9-11-17-27(25)35-37(41(3,4)5)50-39(47-35)33-29(43)19-13-20-30(33)44)49-24(2)26-16-10-12-18-28(26)36-38(42(6,7)8)51-40(48-36)34-31(45)21-14-22-32(34)46/h9-24,35-38H,1-8H3
InChIKeyLGAGZVNMDBURRD-UHFFFAOYSA-N
MW700.82 g/mol
LogP10.95
Rot. Bonds8

About 5-tert-butyl-4-[2-[1-[1-[2-[5-tert-butyl-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethoxy]ethyl]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole

5-tert-butyl-4-[2-[1-[1-[2-[5-tert-butyl-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethoxy]ethyl]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 175665295) has the molecular formula C42H44F4N2O3 and a molecular weight of 700.82 g/mol. Its IUPAC name is 5-tert-butyl-4-[2-[1-[1-[2-[5-tert-butyl-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethoxy]ethyl]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-4-[2-[1-[1-[2-[5-tert-butyl-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethoxy]ethyl]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID175665295
Molecular FormulaC42H44F4N2O3
Molecular Weight700.82 g/mol
Exact Mass700.33
IUPAC Name5-tert-butyl-4-[2-[1-[1-[2-[5-tert-butyl-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethoxy]ethyl]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESCC(OC(C)c1ccccc1C1N=C(c2c(F)cccc2F)OC1C(C)(C)C)c1ccccc1C1N=C(c2c(F)cccc2F)OC1C(C)(C)C
InChIInChI=1S/C42H44F4N2O3/c1-23(25-15-9-11-17-27(25)35-37(41(3,4)5)50-39(47-35)33-29(43)19-13-20-30(33)44)49-24(2)26-16-10-12-18-28(26)36-38(42(6,7)8)51-40(48-36)34-31(45)21-14-22-32(34)46/h9-24,35-38H,1-8H3
InChIKeyLGAGZVNMDBURRD-UHFFFAOYSA-N
XLogP10.95
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.82
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-tert-butyl-4-[2-[1-[1-[2-[5-tert-butyl-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethoxy]ethyl]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-[2-[1-[1-[2-[5-tert-butyl-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethoxy]ethyl]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-tert-butyl-4-[2-[1-[1-[2-[5-tert-butyl-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethoxy]ethyl]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (CID 175665295) is 5-tert-butyl-4-[2-[1-[1-[2-[5-tert-butyl-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethoxy]ethyl]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-4-[2-[1-[1-[2-[5-tert-butyl-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethoxy]ethyl]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-4-[2-[1-[1-[2-[5-tert-butyl-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethoxy]ethyl]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is CC(OC(C)c1ccccc1C1N=C(c2c(F)cccc2F)OC1C(C)(C)C)c1ccccc1C1N=C(c2c(F)cccc2F)OC1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-[2-[1-[1-[2-[5-tert-butyl-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethoxy]ethyl]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is LGAGZVNMDBURRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H44F4N2O3/c1-23(25-15-9-11-17-27(25)35-37(41(3,4)5)50-39(47-35)33-29(43)19-13-20-30(33)44)49-24(2)26-16-10-12-18-28(26)36-38(42(6,7)8)51-40(48-36)34-31(45)21-14-22-32(34)46/h9-24,35-38H,1-8H3.
What are the key properties of 5-tert-butyl-4-[2-[1-[1-[2-[5-tert-butyl-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethoxy]ethyl]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
5-tert-butyl-4-[2-[1-[1-[2-[5-tert-butyl-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethoxy]ethyl]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 700.82 g/mol, XLogP of 10.95, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-[2-[1-[1-[2-[5-tert-butyl-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethoxy]ethyl]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 175665295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).