(4R)-4-ethyl-2-[2-[2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4,5-dihydro-1,3-oxazole

C22H24N2O2 — CID 101157322

IUPAC(4R)-4-ethyl-2-[2-[2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCC[C@@H]1COC(c2ccccc2-c2ccccc2C2=N[C@H](CC)CO2)=N1
InChIInChI=1S/C22H24N2O2/c1-3-15-13-25-21(23-15)19-11-7-5-9-17(19)18-10-6-8-12-20(18)22-24-16(4-2)14-26-22/h5-12,15-16H,3-4,13-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyHAHFGBUBPXGPRF-HZPDHXFCSA-N
MW348.45 g/mol
LogP4.46
Rot. Bonds5

About (4R)-4-ethyl-2-[2-[2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4,5-dihydro-1,3-oxazole

(4R)-4-ethyl-2-[2-[2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 101157322) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (4R)-4-ethyl-2-[2-[2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-ethyl-2-[2-[2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID101157322
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(4R)-4-ethyl-2-[2-[2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCC[C@@H]1COC(c2ccccc2-c2ccccc2C2=N[C@H](CC)CO2)=N1
InChIInChI=1S/C22H24N2O2/c1-3-15-13-25-21(23-15)19-11-7-5-9-17(19)18-10-6-8-12-20(18)22-24-16(4-2)14-26-22/h5-12,15-16H,3-4,13-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyHAHFGBUBPXGPRF-HZPDHXFCSA-N
XLogP4.46
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethyl-2-[2-[2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-ethyl-2-[2-[2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4,5-dihydro-1,3-oxazole (CID 101157322) is (4R)-4-ethyl-2-[2-[2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-ethyl-2-[2-[2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-ethyl-2-[2-[2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4,5-dihydro-1,3-oxazole is CC[C@@H]1COC(c2ccccc2-c2ccccc2C2=N[C@H](CC)CO2)=N1.
What is the InChIKey of (4R)-4-ethyl-2-[2-[2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is HAHFGBUBPXGPRF-HZPDHXFCSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-15-13-25-21(23-15)19-11-7-5-9-17(19)18-10-6-8-12-20(18)22-24-16(4-2)14-26-22/h5-12,15-16H,3-4,13-14H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of (4R)-4-ethyl-2-[2-[2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4,5-dihydro-1,3-oxazole?
(4R)-4-ethyl-2-[2-[2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 348.45 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethyl-2-[2-[2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 101157322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).