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

C21H30N2O2 — CID 74439055

IUPAC2-[1-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1COC(C(C)(Cc2ccccc2)C2=NC(C(C)C)CO2)=N1
InChIInChI=1S/C21H30N2O2/c1-14(2)17-12-24-19(22-17)21(5,11-16-9-7-6-8-10-16)20-23-18(13-25-20)15(3)4/h6-10,14-15,17-18H,11-13H2,1-5H3
InChIKeyBBFBTUSLSAFMKW-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.14
Rot. Bonds6

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

2-[1-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 74439055) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-[1-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[1-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID74439055
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name2-[1-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1COC(C(C)(Cc2ccccc2)C2=NC(C(C)C)CO2)=N1
InChIInChI=1S/C21H30N2O2/c1-14(2)17-12-24-19(22-17)21(5,11-16-9-7-6-8-10-16)20-23-18(13-25-20)15(3)4/h6-10,14-15,17-18H,11-13H2,1-5H3
InChIKeyBBFBTUSLSAFMKW-UHFFFAOYSA-N
XLogP4.14
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[1-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 74439055) is 2-[1-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[1-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[1-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)C1COC(C(C)(Cc2ccccc2)C2=NC(C(C)C)CO2)=N1.
What is the InChIKey of 2-[1-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is BBFBTUSLSAFMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-14(2)17-12-24-19(22-17)21(5,11-16-9-7-6-8-10-16)20-23-18(13-25-20)15(3)4/h6-10,14-15,17-18H,11-13H2,1-5H3.
What are the key properties of 2-[1-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
2-[1-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 342.48 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 74439055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).