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

C28H36N4O2 — CID 101018695

IUPAC4-propan-2-yl-2-[2-[4-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1COC(c2ccccc2N2CCN(c3ccccc3C3=NC(C(C)C)CO3)CC2)=N1
InChIInChI=1S/C28H36N4O2/c1-19(2)23-17-33-27(29-23)21-9-5-7-11-25(21)31-13-15-32(16-14-31)26-12-8-6-10-22(26)28-30-24(18-34-28)20(3)4/h5-12,19-20,23-24H,13-18H2,1-4H3
InChIKeyFZLJZMNAUZLYSY-UHFFFAOYSA-N
MW460.62 g/mol
LogP4.62
Rot. Bonds6

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

4-propan-2-yl-2-[2-[4-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 101018695) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 4-propan-2-yl-2-[2-[4-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-propan-2-yl-2-[2-[4-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID101018695
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC Name4-propan-2-yl-2-[2-[4-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1COC(c2ccccc2N2CCN(c3ccccc3C3=NC(C(C)C)CO3)CC2)=N1
InChIInChI=1S/C28H36N4O2/c1-19(2)23-17-33-27(29-23)21-9-5-7-11-25(21)31-13-15-32(16-14-31)26-12-8-6-10-22(26)28-30-24(18-34-28)20(3)4/h5-12,19-20,23-24H,13-18H2,1-4H3
InChIKeyFZLJZMNAUZLYSY-UHFFFAOYSA-N
XLogP4.62
TPSA49.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[2-[4-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-propan-2-yl-2-[2-[4-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,5-dihydro-1,3-oxazole (CID 101018695) is 4-propan-2-yl-2-[2-[4-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-propan-2-yl-2-[2-[4-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-propan-2-yl-2-[2-[4-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,5-dihydro-1,3-oxazole is CC(C)C1COC(c2ccccc2N2CCN(c3ccccc3C3=NC(C(C)C)CO3)CC2)=N1.
What is the InChIKey of 4-propan-2-yl-2-[2-[4-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is FZLJZMNAUZLYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-19(2)23-17-33-27(29-23)21-9-5-7-11-25(21)31-13-15-32(16-14-31)26-12-8-6-10-22(26)28-30-24(18-34-28)20(3)4/h5-12,19-20,23-24H,13-18H2,1-4H3.
What are the key properties of 4-propan-2-yl-2-[2-[4-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,5-dihydro-1,3-oxazole?
4-propan-2-yl-2-[2-[4-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 460.62 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[2-[4-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 101018695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).