[3,5-bis[3-(4-tert-butylphenyl)butyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol

C34H51NO3 — CID 69226584

IUPAC[3,5-bis[3-(4-tert-butylphenyl)butyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
SMILESCC(CCC1OCC2(CO)COC(CCC(C)c3ccc(C(C)(C)C)cc3)N12)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C34H51NO3/c1-24(26-11-15-28(16-12-26)32(3,4)5)9-19-30-35-31(38-23-34(35,21-36)22-37-30)20-10-25(2)27-13-17-29(18-14-27)33(6,7)8/h11-18,24-25,30-31,36H,9-10,19-23H2,1-8H3
InChIKeySGHUXTFXDXWVBW-UHFFFAOYSA-N
MW521.79 g/mol
LogP7.49
Rot. Bonds9

About [3,5-bis[3-(4-tert-butylphenyl)butyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol

[3,5-bis[3-(4-tert-butylphenyl)butyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol (PubChem CID 69226584) has the molecular formula C34H51NO3 and a molecular weight of 521.79 g/mol. Its IUPAC name is [3,5-bis[3-(4-tert-butylphenyl)butyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol.

Molecular Properties

Compound Name[3,5-bis[3-(4-tert-butylphenyl)butyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
PubChem CID69226584
Molecular FormulaC34H51NO3
Molecular Weight521.79 g/mol
Exact Mass521.39
IUPAC Name[3,5-bis[3-(4-tert-butylphenyl)butyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
SMILESCC(CCC1OCC2(CO)COC(CCC(C)c3ccc(C(C)(C)C)cc3)N12)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C34H51NO3/c1-24(26-11-15-28(16-12-26)32(3,4)5)9-19-30-35-31(38-23-34(35,21-36)22-37-30)20-10-25(2)27-13-17-29(18-14-27)33(6,7)8/h11-18,24-25,30-31,36H,9-10,19-23H2,1-8H3
InChIKeySGHUXTFXDXWVBW-UHFFFAOYSA-N
XLogP7.49
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.79
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3,5-bis[3-(4-tert-butylphenyl)butyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol 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 [3,5-bis[3-(4-tert-butylphenyl)butyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
The IUPAC name of [3,5-bis[3-(4-tert-butylphenyl)butyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol (CID 69226584) is [3,5-bis[3-(4-tert-butylphenyl)butyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol.
What is the SMILES notation for [3,5-bis[3-(4-tert-butylphenyl)butyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
The canonical SMILES for [3,5-bis[3-(4-tert-butylphenyl)butyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol is CC(CCC1OCC2(CO)COC(CCC(C)c3ccc(C(C)(C)C)cc3)N12)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of [3,5-bis[3-(4-tert-butylphenyl)butyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
The InChIKey is SGHUXTFXDXWVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H51NO3/c1-24(26-11-15-28(16-12-26)32(3,4)5)9-19-30-35-31(38-23-34(35,21-36)22-37-30)20-10-25(2)27-13-17-29(18-14-27)33(6,7)8/h11-18,24-25,30-31,36H,9-10,19-23H2,1-8H3.
What are the key properties of [3,5-bis[3-(4-tert-butylphenyl)butyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
[3,5-bis[3-(4-tert-butylphenyl)butyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol has a molecular weight of 521.79 g/mol, XLogP of 7.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis[3-(4-tert-butylphenyl)butyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol is sourced from PubChem (CID 69226584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).