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

C20H28N2O2 — CID 58810719

IUPAC4-propan-2-yl-2-[[4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1COC(Cc2ccc(CC3=NC(C(C)C)CO3)cc2)=N1
InChIInChI=1S/C20H28N2O2/c1-13(2)17-11-23-19(21-17)9-15-5-7-16(8-6-15)10-20-22-18(12-24-20)14(3)4/h5-8,13-14,17-18H,9-12H2,1-4H3
InChIKeyJHHQAFJVZKECEK-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.68
Rot. Bonds6

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

4-propan-2-yl-2-[[4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 58810719) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-propan-2-yl-2-[[4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-propan-2-yl-2-[[4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole
PubChem CID58810719
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name4-propan-2-yl-2-[[4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1COC(Cc2ccc(CC3=NC(C(C)C)CO3)cc2)=N1
InChIInChI=1S/C20H28N2O2/c1-13(2)17-11-23-19(21-17)9-15-5-7-16(8-6-15)10-20-22-18(12-24-20)14(3)4/h5-8,13-14,17-18H,9-12H2,1-4H3
InChIKeyJHHQAFJVZKECEK-UHFFFAOYSA-N
XLogP3.68
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[[4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-propan-2-yl-2-[[4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole (CID 58810719) is 4-propan-2-yl-2-[[4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-propan-2-yl-2-[[4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-propan-2-yl-2-[[4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole is CC(C)C1COC(Cc2ccc(CC3=NC(C(C)C)CO3)cc2)=N1.
What is the InChIKey of 4-propan-2-yl-2-[[4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is JHHQAFJVZKECEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-13(2)17-11-23-19(21-17)9-15-5-7-16(8-6-15)10-20-22-18(12-24-20)14(3)4/h5-8,13-14,17-18H,9-12H2,1-4H3.
What are the key properties of 4-propan-2-yl-2-[[4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole?
4-propan-2-yl-2-[[4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 328.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[[4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 58810719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).