(4R)-2-benzo[f][1,3]benzodioxol-6-yl-4-tert-butyl-4,5-dihydro-1,3-oxazole

C18H19NO3 — CID 11173998

IUPAC(4R)-2-benzo[f][1,3]benzodioxol-6-yl-4-tert-butyl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@@H]1COC(c2ccc3cc4c(cc3c2)OCO4)=N1
InChIInChI=1S/C18H19NO3/c1-18(2,3)16-9-20-17(19-16)12-5-4-11-7-14-15(22-10-21-14)8-13(11)6-12/h4-8,16H,9-10H2,1-3H3/t16-/m0/s1
InChIKeyUCXHTNGZGLHCSB-INIZCTEOSA-N
MW297.35 g/mol
LogP3.76
Rot. Bonds1

About (4R)-2-benzo[f][1,3]benzodioxol-6-yl-4-tert-butyl-4,5-dihydro-1,3-oxazole

(4R)-2-benzo[f][1,3]benzodioxol-6-yl-4-tert-butyl-4,5-dihydro-1,3-oxazole (PubChem CID 11173998) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (4R)-2-benzo[f][1,3]benzodioxol-6-yl-4-tert-butyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-2-benzo[f][1,3]benzodioxol-6-yl-4-tert-butyl-4,5-dihydro-1,3-oxazole
PubChem CID11173998
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(4R)-2-benzo[f][1,3]benzodioxol-6-yl-4-tert-butyl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@@H]1COC(c2ccc3cc4c(cc3c2)OCO4)=N1
InChIInChI=1S/C18H19NO3/c1-18(2,3)16-9-20-17(19-16)12-5-4-11-7-14-15(22-10-21-14)8-13(11)6-12/h4-8,16H,9-10H2,1-3H3/t16-/m0/s1
InChIKeyUCXHTNGZGLHCSB-INIZCTEOSA-N
XLogP3.76
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-benzo[f][1,3]benzodioxol-6-yl-4-tert-butyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-2-benzo[f][1,3]benzodioxol-6-yl-4-tert-butyl-4,5-dihydro-1,3-oxazole (CID 11173998) is (4R)-2-benzo[f][1,3]benzodioxol-6-yl-4-tert-butyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-2-benzo[f][1,3]benzodioxol-6-yl-4-tert-butyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-2-benzo[f][1,3]benzodioxol-6-yl-4-tert-butyl-4,5-dihydro-1,3-oxazole is CC(C)(C)[C@@H]1COC(c2ccc3cc4c(cc3c2)OCO4)=N1.
What is the InChIKey of (4R)-2-benzo[f][1,3]benzodioxol-6-yl-4-tert-butyl-4,5-dihydro-1,3-oxazole?
The InChIKey is UCXHTNGZGLHCSB-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19NO3/c1-18(2,3)16-9-20-17(19-16)12-5-4-11-7-14-15(22-10-21-14)8-13(11)6-12/h4-8,16H,9-10H2,1-3H3/t16-/m0/s1.
What are the key properties of (4R)-2-benzo[f][1,3]benzodioxol-6-yl-4-tert-butyl-4,5-dihydro-1,3-oxazole?
(4R)-2-benzo[f][1,3]benzodioxol-6-yl-4-tert-butyl-4,5-dihydro-1,3-oxazole has a molecular weight of 297.35 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-benzo[f][1,3]benzodioxol-6-yl-4-tert-butyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11173998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).