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

C24H27NO2 — CID 59572724

IUPAC10-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine
SMILESCc1cc2c(o1)N(c1c(C)cc(C(C)(C)C)cc1C)c1ccccc1CO2
InChIInChI=1S/C24H27NO2/c1-15-11-19(24(4,5)6)12-16(2)22(15)25-20-10-8-7-9-18(20)14-26-21-13-17(3)27-23(21)25/h7-13H,14H2,1-6H3
InChIKeyUXAOBSNLBGCKDY-UHFFFAOYSA-N
MW361.49 g/mol
LogP6.86
Rot. Bonds1

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

10-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine (PubChem CID 59572724) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 10-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine.

Molecular Properties

Compound Name10-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine
PubChem CID59572724
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name10-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine
SMILESCc1cc2c(o1)N(c1c(C)cc(C(C)(C)C)cc1C)c1ccccc1CO2
InChIInChI=1S/C24H27NO2/c1-15-11-19(24(4,5)6)12-16(2)22(15)25-20-10-8-7-9-18(20)14-26-21-13-17(3)27-23(21)25/h7-13H,14H2,1-6H3
InChIKeyUXAOBSNLBGCKDY-UHFFFAOYSA-N
XLogP6.86
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine?
The IUPAC name of 10-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine (CID 59572724) is 10-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine.
What is the SMILES notation for 10-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine?
The canonical SMILES for 10-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine is Cc1cc2c(o1)N(c1c(C)cc(C(C)(C)C)cc1C)c1ccccc1CO2.
What is the InChIKey of 10-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine?
The InChIKey is UXAOBSNLBGCKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-15-11-19(24(4,5)6)12-16(2)22(15)25-20-10-8-7-9-18(20)14-26-21-13-17(3)27-23(21)25/h7-13H,14H2,1-6H3.
What are the key properties of 10-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine?
10-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine has a molecular weight of 361.49 g/mol, XLogP of 6.86, 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-methyl-5H-furo[2,3-b][4,1]benzoxazepine is sourced from PubChem (CID 59572724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).