10-(4-tert-butyl-2,6-dimethylphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine

C25H29NO2 — CID 59572326

IUPAC10-(4-tert-butyl-2,6-dimethylphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine
SMILESCc1ccc2c(c1)COc1cc(C)oc1N2c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C25H29NO2/c1-15-8-9-21-19(10-15)14-27-22-13-18(4)28-24(22)26(21)23-16(2)11-20(12-17(23)3)25(5,6)7/h8-13H,14H2,1-7H3
InChIKeyXGSNDXGNYPKYRI-UHFFFAOYSA-N
MW375.51 g/mol
LogP7.17
Rot. Bonds1

About 10-(4-tert-butyl-2,6-dimethylphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine

10-(4-tert-butyl-2,6-dimethylphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine (PubChem CID 59572326) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is 10-(4-tert-butyl-2,6-dimethylphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine.

Molecular Properties

Compound Name10-(4-tert-butyl-2,6-dimethylphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine
PubChem CID59572326
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC Name10-(4-tert-butyl-2,6-dimethylphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine
SMILESCc1ccc2c(c1)COc1cc(C)oc1N2c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C25H29NO2/c1-15-8-9-21-19(10-15)14-27-22-13-18(4)28-24(22)26(21)23-16(2)11-20(12-17(23)3)25(5,6)7/h8-13H,14H2,1-7H3
InChIKeyXGSNDXGNYPKYRI-UHFFFAOYSA-N
XLogP7.17
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-(4-tert-butyl-2,6-dimethylphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine 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 10-(4-tert-butyl-2,6-dimethylphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine?
The IUPAC name of 10-(4-tert-butyl-2,6-dimethylphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine (CID 59572326) is 10-(4-tert-butyl-2,6-dimethylphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine.
What is the SMILES notation for 10-(4-tert-butyl-2,6-dimethylphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine?
The canonical SMILES for 10-(4-tert-butyl-2,6-dimethylphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine is Cc1ccc2c(c1)COc1cc(C)oc1N2c1c(C)cc(C(C)(C)C)cc1C.
What is the InChIKey of 10-(4-tert-butyl-2,6-dimethylphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine?
The InChIKey is XGSNDXGNYPKYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c1-15-8-9-21-19(10-15)14-27-22-13-18(4)28-24(22)26(21)23-16(2)11-20(12-17(23)3)25(5,6)7/h8-13H,14H2,1-7H3.
What are the key properties of 10-(4-tert-butyl-2,6-dimethylphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine?
10-(4-tert-butyl-2,6-dimethylphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine has a molecular weight of 375.51 g/mol, XLogP of 7.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-tert-butyl-2,6-dimethylphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine is sourced from PubChem (CID 59572326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).