methyl (6R)-3-(4-ethyl-3-methoxyphenyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine-1-carboxylate

C19H24N2O4 — CID 90355000

IUPACmethyl (6R)-3-(4-ethyl-3-methoxyphenyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine-1-carboxylate
SMILESCCc1ccc(-c2nc(C(=O)OC)c3n2C[C@@H](C)OCC3)cc1OC
InChIInChI=1S/C19H24N2O4/c1-5-13-6-7-14(10-16(13)23-3)18-20-17(19(22)24-4)15-8-9-25-12(2)11-21(15)18/h6-7,10,12H,5,8-9,11H2,1-4H3/t12-/m1/s1
InChIKeyASEQWZMVUYQBJW-GFCCVEGCSA-N
MW344.41 g/mol
LogP2.87
Rot. Bonds4

About methyl (6R)-3-(4-ethyl-3-methoxyphenyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine-1-carboxylate

methyl (6R)-3-(4-ethyl-3-methoxyphenyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine-1-carboxylate (PubChem CID 90355000) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is methyl (6R)-3-(4-ethyl-3-methoxyphenyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine-1-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-3-(4-ethyl-3-methoxyphenyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine-1-carboxylate
PubChem CID90355000
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Namemethyl (6R)-3-(4-ethyl-3-methoxyphenyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine-1-carboxylate
SMILESCCc1ccc(-c2nc(C(=O)OC)c3n2C[C@@H](C)OCC3)cc1OC
InChIInChI=1S/C19H24N2O4/c1-5-13-6-7-14(10-16(13)23-3)18-20-17(19(22)24-4)15-8-9-25-12(2)11-21(15)18/h6-7,10,12H,5,8-9,11H2,1-4H3/t12-/m1/s1
InChIKeyASEQWZMVUYQBJW-GFCCVEGCSA-N
XLogP2.87
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (6R)-3-(4-ethyl-3-methoxyphenyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine-1-carboxylate 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 methyl (6R)-3-(4-ethyl-3-methoxyphenyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine-1-carboxylate?
The IUPAC name of methyl (6R)-3-(4-ethyl-3-methoxyphenyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine-1-carboxylate (CID 90355000) is methyl (6R)-3-(4-ethyl-3-methoxyphenyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine-1-carboxylate.
What is the SMILES notation for methyl (6R)-3-(4-ethyl-3-methoxyphenyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine-1-carboxylate?
The canonical SMILES for methyl (6R)-3-(4-ethyl-3-methoxyphenyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine-1-carboxylate is CCc1ccc(-c2nc(C(=O)OC)c3n2C[C@@H](C)OCC3)cc1OC.
What is the InChIKey of methyl (6R)-3-(4-ethyl-3-methoxyphenyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine-1-carboxylate?
The InChIKey is ASEQWZMVUYQBJW-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-5-13-6-7-14(10-16(13)23-3)18-20-17(19(22)24-4)15-8-9-25-12(2)11-21(15)18/h6-7,10,12H,5,8-9,11H2,1-4H3/t12-/m1/s1.
What are the key properties of methyl (6R)-3-(4-ethyl-3-methoxyphenyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine-1-carboxylate?
methyl (6R)-3-(4-ethyl-3-methoxyphenyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine-1-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-3-(4-ethyl-3-methoxyphenyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine-1-carboxylate is sourced from PubChem (CID 90355000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).