2,3-ditert-butyl-1,4-benzoxazepine

C17H23NO — CID 58303883

IUPAC2,3-ditert-butyl-1,4-benzoxazepine
SMILESCC(C)(C)C1=C(C(C)(C)C)Oc2ccccc2C=N1
InChIInChI=1S/C17H23NO/c1-16(2,3)14-15(17(4,5)6)19-13-10-8-7-9-12(13)11-18-14/h7-11H,1-6H3
InChIKeyRXBFWJKYTPDFIK-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.80
Rot. Bonds

About 2,3-ditert-butyl-1,4-benzoxazepine

2,3-ditert-butyl-1,4-benzoxazepine (PubChem CID 58303883) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2,3-ditert-butyl-1,4-benzoxazepine.

Molecular Properties

Compound Name2,3-ditert-butyl-1,4-benzoxazepine
PubChem CID58303883
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2,3-ditert-butyl-1,4-benzoxazepine
SMILESCC(C)(C)C1=C(C(C)(C)C)Oc2ccccc2C=N1
InChIInChI=1S/C17H23NO/c1-16(2,3)14-15(17(4,5)6)19-13-10-8-7-9-12(13)11-18-14/h7-11H,1-6H3
InChIKeyRXBFWJKYTPDFIK-UHFFFAOYSA-N
XLogP4.80
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-bis[(Z)-prop-1-enyl]-1,4-benzoxazepine
CID 143559566
2,3-ditert-butyl-4H-1,4-benzoxazepin-5-one
CID 58303933
CID 162382667
CID 162382667
CID 24799173
CID 24799173
1,2,3-benzoxathiazine
CID 22055088
bis(1,4-benzoxazepin-2-yl)methanone
CID 174424374
2-phenyl-2H-1,3-benzoxazine
CID 141035286
3-chloro-1-[4-(3-chlorobenzo[b][1,4]benzoxazepin-1-yl)piperazin-1-yl]benzo[b][1,4]benzoxazepine
CID 131698896
benzo[c][1,6]benzodiazocine
CID 609910
N-butyl-N-(2-phenyl-1,4-benzoxazepin-3-yl)methanesulfonamide
CID 138984083
(11Z)-4-oxa-12,14,15,16-tetrazatetracyclo[11.2.1.03,14.05,10]hexadeca-1(15),5,7,9,11,13(16)-hexaene
CID 164946370
10-(2-tert-butylpyrimidin-5-yl)phenoxazine
CID 164940851

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-1,4-benzoxazepine?
The IUPAC name of 2,3-ditert-butyl-1,4-benzoxazepine (CID 58303883) is 2,3-ditert-butyl-1,4-benzoxazepine.
What is the SMILES notation for 2,3-ditert-butyl-1,4-benzoxazepine?
The canonical SMILES for 2,3-ditert-butyl-1,4-benzoxazepine is CC(C)(C)C1=C(C(C)(C)C)Oc2ccccc2C=N1.
What is the InChIKey of 2,3-ditert-butyl-1,4-benzoxazepine?
The InChIKey is RXBFWJKYTPDFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-16(2,3)14-15(17(4,5)6)19-13-10-8-7-9-12(13)11-18-14/h7-11H,1-6H3.
What are the key properties of 2,3-ditert-butyl-1,4-benzoxazepine?
2,3-ditert-butyl-1,4-benzoxazepine has a molecular weight of 257.38 g/mol, XLogP of 4.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-1,4-benzoxazepine is sourced from PubChem (CID 58303883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).