4-(2,6-dimethylphenyl)-2-[2-[4-(2,6-dimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole

C25H30N2O2 — CID 20673027

IUPAC4-(2,6-dimethylphenyl)-2-[2-[4-(2,6-dimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCc1cccc(C)c1C1COC(C(C)(C)C2=NC(c3c(C)cccc3C)CO2)=N1
InChIInChI=1S/C25H30N2O2/c1-15-9-7-10-16(2)21(15)19-13-28-23(26-19)25(5,6)24-27-20(14-29-24)22-17(3)11-8-12-18(22)4/h7-12,19-20H,13-14H2,1-6H3
InChIKeyLWFDGSDURMXEPB-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.59
Rot. Bonds4

About 4-(2,6-dimethylphenyl)-2-[2-[4-(2,6-dimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole

4-(2,6-dimethylphenyl)-2-[2-[4-(2,6-dimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 20673027) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-(2,6-dimethylphenyl)-2-[2-[4-(2,6-dimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(2,6-dimethylphenyl)-2-[2-[4-(2,6-dimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID20673027
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name4-(2,6-dimethylphenyl)-2-[2-[4-(2,6-dimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCc1cccc(C)c1C1COC(C(C)(C)C2=NC(c3c(C)cccc3C)CO2)=N1
InChIInChI=1S/C25H30N2O2/c1-15-9-7-10-16(2)21(15)19-13-28-23(26-19)25(5,6)24-27-20(14-29-24)22-17(3)11-8-12-18(22)4/h7-12,19-20H,13-14H2,1-6H3
InChIKeyLWFDGSDURMXEPB-UHFFFAOYSA-N
XLogP5.59
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2,6-dimethylphenyl)-2-[2-[4-(2,6-dimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole with MolForge

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Related Compounds

chlorocopper;(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 24769983
dichlorocopper;(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 11294328
copper;bis(hexafluoroantimony(1-));(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 44517919
(4S)-4-(3,5-ditert-butylphenyl)-2-[2-[(4S)-4-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 102481349
(4S)-4-phenyl-2-[2-[6-[6-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-2-pyridinyl]-2-pyridinyl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 101183979
copper;(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate)
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4,4-diphenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-5H-1,3-oxazole
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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylphenyl)-2-[2-[4-(2,6-dimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(2,6-dimethylphenyl)-2-[2-[4-(2,6-dimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole (CID 20673027) is 4-(2,6-dimethylphenyl)-2-[2-[4-(2,6-dimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(2,6-dimethylphenyl)-2-[2-[4-(2,6-dimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(2,6-dimethylphenyl)-2-[2-[4-(2,6-dimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole is Cc1cccc(C)c1C1COC(C(C)(C)C2=NC(c3c(C)cccc3C)CO2)=N1.
What is the InChIKey of 4-(2,6-dimethylphenyl)-2-[2-[4-(2,6-dimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is LWFDGSDURMXEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-15-9-7-10-16(2)21(15)19-13-28-23(26-19)25(5,6)24-27-20(14-29-24)22-17(3)11-8-12-18(22)4/h7-12,19-20H,13-14H2,1-6H3.
What are the key properties of 4-(2,6-dimethylphenyl)-2-[2-[4-(2,6-dimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole?
4-(2,6-dimethylphenyl)-2-[2-[4-(2,6-dimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 390.53 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylphenyl)-2-[2-[4-(2,6-dimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 20673027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).