1,7,7a-trimethyl-3,5-bis[2-[2-methyl-4-(2-methylpropyl)phenyl]ethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole

C34H51NO2 — CID 158533982

IUPAC1,7,7a-trimethyl-3,5-bis[2-[2-methyl-4-(2-methylpropyl)phenyl]ethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESCc1cc(CC(C)C)ccc1CCC1OC(C)C2(C)C(C)OC(CCc3ccc(CC(C)C)cc3C)N12
InChIInChI=1S/C34H51NO2/c1-22(2)18-28-10-12-30(24(5)20-28)14-16-32-35-33(37-27(8)34(35,9)26(7)36-32)17-15-31-13-11-29(19-23(3)4)21-25(31)6/h10-13,20-23,26-27,32-33H,14-19H2,1-9H3
InChIKeyHNSHMKMPVOLFID-UHFFFAOYSA-N
MW505.79 g/mol
LogP7.82
Rot. Bonds10

About 1,7,7a-trimethyl-3,5-bis[2-[2-methyl-4-(2-methylpropyl)phenyl]ethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole

1,7,7a-trimethyl-3,5-bis[2-[2-methyl-4-(2-methylpropyl)phenyl]ethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole (PubChem CID 158533982) has the molecular formula C34H51NO2 and a molecular weight of 505.79 g/mol. Its IUPAC name is 1,7,7a-trimethyl-3,5-bis[2-[2-methyl-4-(2-methylpropyl)phenyl]ethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole.

Molecular Properties

Compound Name1,7,7a-trimethyl-3,5-bis[2-[2-methyl-4-(2-methylpropyl)phenyl]ethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
PubChem CID158533982
Molecular FormulaC34H51NO2
Molecular Weight505.79 g/mol
Exact Mass505.39
IUPAC Name1,7,7a-trimethyl-3,5-bis[2-[2-methyl-4-(2-methylpropyl)phenyl]ethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESCc1cc(CC(C)C)ccc1CCC1OC(C)C2(C)C(C)OC(CCc3ccc(CC(C)C)cc3C)N12
InChIInChI=1S/C34H51NO2/c1-22(2)18-28-10-12-30(24(5)20-28)14-16-32-35-33(37-27(8)34(35,9)26(7)36-32)17-15-31-13-11-29(19-23(3)4)21-25(31)6/h10-13,20-23,26-27,32-33H,14-19H2,1-9H3
InChIKeyHNSHMKMPVOLFID-UHFFFAOYSA-N
XLogP7.82
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.79
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,7,7a-trimethyl-3,5-bis[2-[2-methyl-4-(2-methylpropyl)phenyl]ethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][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 1,7,7a-trimethyl-3,5-bis[2-[2-methyl-4-(2-methylpropyl)phenyl]ethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The IUPAC name of 1,7,7a-trimethyl-3,5-bis[2-[2-methyl-4-(2-methylpropyl)phenyl]ethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole (CID 158533982) is 1,7,7a-trimethyl-3,5-bis[2-[2-methyl-4-(2-methylpropyl)phenyl]ethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole.
What is the SMILES notation for 1,7,7a-trimethyl-3,5-bis[2-[2-methyl-4-(2-methylpropyl)phenyl]ethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The canonical SMILES for 1,7,7a-trimethyl-3,5-bis[2-[2-methyl-4-(2-methylpropyl)phenyl]ethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is Cc1cc(CC(C)C)ccc1CCC1OC(C)C2(C)C(C)OC(CCc3ccc(CC(C)C)cc3C)N12.
What is the InChIKey of 1,7,7a-trimethyl-3,5-bis[2-[2-methyl-4-(2-methylpropyl)phenyl]ethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The InChIKey is HNSHMKMPVOLFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H51NO2/c1-22(2)18-28-10-12-30(24(5)20-28)14-16-32-35-33(37-27(8)34(35,9)26(7)36-32)17-15-31-13-11-29(19-23(3)4)21-25(31)6/h10-13,20-23,26-27,32-33H,14-19H2,1-9H3.
What are the key properties of 1,7,7a-trimethyl-3,5-bis[2-[2-methyl-4-(2-methylpropyl)phenyl]ethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
1,7,7a-trimethyl-3,5-bis[2-[2-methyl-4-(2-methylpropyl)phenyl]ethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole has a molecular weight of 505.79 g/mol, XLogP of 7.82, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7a-trimethyl-3,5-bis[2-[2-methyl-4-(2-methylpropyl)phenyl]ethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is sourced from PubChem (CID 158533982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).