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

C26H24N2O2 — CID 67533219

IUPAC4-(4-methylphenyl)-2-[3-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(C2COC(c3cccc(C4=NC(c5ccc(C)cc5)CO4)c3)=N2)cc1
InChIInChI=1S/C26H24N2O2/c1-17-6-10-19(11-7-17)23-15-29-25(27-23)21-4-3-5-22(14-21)26-28-24(16-30-26)20-12-8-18(2)9-13-20/h3-14,23-24H,15-16H2,1-2H3
InChIKeyDPXNKORKSNVSTP-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.34
Rot. Bonds4

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

4-(4-methylphenyl)-2-[3-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 67533219) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-[3-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-[3-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID67533219
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name4-(4-methylphenyl)-2-[3-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(C2COC(c3cccc(C4=NC(c5ccc(C)cc5)CO4)c3)=N2)cc1
InChIInChI=1S/C26H24N2O2/c1-17-6-10-19(11-7-17)23-15-29-25(27-23)21-4-3-5-22(14-21)26-28-24(16-30-26)20-12-8-18(2)9-13-20/h3-14,23-24H,15-16H2,1-2H3
InChIKeyDPXNKORKSNVSTP-UHFFFAOYSA-N
XLogP5.34
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-[3-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(4-methylphenyl)-2-[3-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole (CID 67533219) is 4-(4-methylphenyl)-2-[3-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(4-methylphenyl)-2-[3-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(4-methylphenyl)-2-[3-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole is Cc1ccc(C2COC(c3cccc(C4=NC(c5ccc(C)cc5)CO4)c3)=N2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-[3-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is DPXNKORKSNVSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-17-6-10-19(11-7-17)23-15-29-25(27-23)21-4-3-5-22(14-21)26-28-24(16-30-26)20-12-8-18(2)9-13-20/h3-14,23-24H,15-16H2,1-2H3.
What are the key properties of 4-(4-methylphenyl)-2-[3-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole?
4-(4-methylphenyl)-2-[3-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 396.49 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-[3-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 67533219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).