2,3,5-trimethyl-4,5,6,7-tetrahydro-1,4-oxazepine

C8H15NO — CID 167142299

IUPAC2,3,5-trimethyl-4,5,6,7-tetrahydro-1,4-oxazepine
SMILESCC1=C(C)OCCC(C)N1
InChIInChI=1S/C8H15NO/c1-6-4-5-10-8(3)7(2)9-6/h6,9H,4-5H2,1-3H3
InChIKeyKDKUPGHLTXCLRN-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.64
Rot. Bonds

About 2,3,5-trimethyl-4,5,6,7-tetrahydro-1,4-oxazepine

2,3,5-trimethyl-4,5,6,7-tetrahydro-1,4-oxazepine (PubChem CID 167142299) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2,3,5-trimethyl-4,5,6,7-tetrahydro-1,4-oxazepine.

Molecular Properties

Compound Name2,3,5-trimethyl-4,5,6,7-tetrahydro-1,4-oxazepine
PubChem CID167142299
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2,3,5-trimethyl-4,5,6,7-tetrahydro-1,4-oxazepine
SMILESCC1=C(C)OCCC(C)N1
InChIInChI=1S/C8H15NO/c1-6-4-5-10-8(3)7(2)9-6/h6,9H,4-5H2,1-3H3
InChIKeyKDKUPGHLTXCLRN-UHFFFAOYSA-N
XLogP1.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3,5-trimethyl-4,5,6,7-tetrahydro-1,4-oxazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-2,3-dimethyl-5,6,7,8-tetrahydro-4H-1,4-oxazocine
CID 118586817
2,3-Dimethyl-4,5,6,7-tetrahydro-1,4-oxazepine
CID 143188807
2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine
CID 143529597
ethane;2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine
CID 143529606
(E)-3-propoxy-N-propylbut-2-en-2-amine
CID 145202328

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-4,5,6,7-tetrahydro-1,4-oxazepine?
The IUPAC name of 2,3,5-trimethyl-4,5,6,7-tetrahydro-1,4-oxazepine (CID 167142299) is 2,3,5-trimethyl-4,5,6,7-tetrahydro-1,4-oxazepine.
What is the SMILES notation for 2,3,5-trimethyl-4,5,6,7-tetrahydro-1,4-oxazepine?
The canonical SMILES for 2,3,5-trimethyl-4,5,6,7-tetrahydro-1,4-oxazepine is CC1=C(C)OCCC(C)N1.
What is the InChIKey of 2,3,5-trimethyl-4,5,6,7-tetrahydro-1,4-oxazepine?
The InChIKey is KDKUPGHLTXCLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6-4-5-10-8(3)7(2)9-6/h6,9H,4-5H2,1-3H3.
What are the key properties of 2,3,5-trimethyl-4,5,6,7-tetrahydro-1,4-oxazepine?
2,3,5-trimethyl-4,5,6,7-tetrahydro-1,4-oxazepine has a molecular weight of 141.21 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-4,5,6,7-tetrahydro-1,4-oxazepine is sourced from PubChem (CID 167142299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).