6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine;6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine;ethyl N-[(4R)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate;ethyl N-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate

C78H63Cl4N11O8 — CID 158183855

About 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine;6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine;ethyl N-[(4R)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate;ethyl N-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate

6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine;6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine;ethyl N-[(4R)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate;ethyl N-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate (PubChem CID 158183855) has the molecular formula C78H63Cl4N11O8 and a molecular weight of 1424.24 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine;6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine;ethyl N-[(4R)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate;ethyl N-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate.

Molecular Properties

• Compound Name: 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine;6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine;ethyl N-[(4R)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate;ethyl N-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate
• PubChem CID: 158183855
• Molecular Formula: C78H63Cl4N11O8
• Molecular Weight: 1424.24 g/mol
• Exact Mass: 1421.36
• IUPAC Name: 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine;6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine;ethyl N-[(4R)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate;ethyl N-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate
• SMILES: CCOC(=O)NC1N=C(c2ccc(Cl)cc2)c2ccccc2-c2c(C)noc21.CCOC(=O)N[C@@H]1N=C(c2ccc(Cl)cc2)c2ccccc2-c2c(C)noc21.Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=NC2.Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=NC2N
• InChI: InChI=1S/2C21H18ClN3O3.C18H14ClN3O.C18H13ClN2O/c2*1-3-27-21(26)24-20-19-17(12(2)25-28-19)15-6-4-5-7-16(15)18(23-20)13-8-10-14(22)11-9-13;1-10-15-13-4-2-3-5-14(13)16(11-6-8-12(19)9-7-11)21-18(20)17(15)23-22-10;1-11-17-14-4-2-3-5-15(14)18(20-10-16(17)22-21-11)12-6-8-13(19)9-7-12/h2*4-11,20H,3H2,1-2H3,(H,24,26);2-9,18H,20H2,1H3;2-9H,10H2,1H3/t20-;;;/m0.../s1
• InChIKey: FYXLESVBFBSHFD-MLQCRBJCSA-N
• XLogP: 18.56
• TPSA: 256.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1424.24
LogP ≤ 5	18.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine;6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine;ethyl N-[(4R)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate;ethyl N-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate?

The IUPAC name of 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine;6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine;ethyl N-[(4R)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate;ethyl N-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate (CID 158183855) is 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine;6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine;ethyl N-[(4R)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate;ethyl N-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate.

What is the SMILES notation for 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine;6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine;ethyl N-[(4R)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate;ethyl N-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate?

The canonical SMILES for 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine;6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine;ethyl N-[(4R)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate;ethyl N-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate is CCOC(=O)NC1N=C(c2ccc(Cl)cc2)c2ccccc2-c2c(C)noc21.CCOC(=O)N[C@@H]1N=C(c2ccc(Cl)cc2)c2ccccc2-c2c(C)noc21.Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=NC2.Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=NC2N.

What is the InChIKey of 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine;6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine;ethyl N-[(4R)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate;ethyl N-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate?

The InChIKey is FYXLESVBFBSHFD-MLQCRBJCSA-N. The full InChI is InChI=1S/2C21H18ClN3O3.C18H14ClN3O.C18H13ClN2O/c2*1-3-27-21(26)24-20-19-17(12(2)25-28-19)15-6-4-5-7-16(15)18(23-20)13-8-10-14(22)11-9-13;1-10-15-13-4-2-3-5-14(13)16(11-6-8-12(19)9-7-11)21-18(20)17(15)23-22-10;1-11-17-14-4-2-3-5-15(14)18(20-10-16(17)22-21-11)12-6-8-13(19)9-7-12/h2*4-11,20H,3H2,1-2H3,(H,24,26);2-9,18H,20H2,1H3;2-9H,10H2,1H3/t20-;;;/m0.../s1.

What are the key properties of 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine;6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine;ethyl N-[(4R)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate;ethyl N-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate?

6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine;6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine;ethyl N-[(4R)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate;ethyl N-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate has a molecular weight of 1424.24 g/mol, XLogP of 18.56, 8 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine;6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine;ethyl N-[(4R)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate;ethyl N-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]carbamate is sourced from PubChem (CID 158183855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).