6-[7-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid

C27H26N4O7 — CID 59995558

About 6-[7-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid

6-[7-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid (PubChem CID 59995558) has the molecular formula C27H26N4O7 and a molecular weight of 518.53 g/mol. Its IUPAC name is 6-[7-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid.

Molecular Properties

• Compound Name: 6-[7-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid
• PubChem CID: 59995558
• Molecular Formula: C27H26N4O7
• Molecular Weight: 518.53 g/mol
• Exact Mass: 518.18
• IUPAC Name: 6-[7-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid
• SMILES: CC1COc2c(N3CCCc4cc(N5C[C@H](C(N)=O)OC5=O)ccc4C3)ccc3c(=O)c(C(=O)O)cn1c23
• InChI: InChI=1S/C27H26N4O7/c1-14-13-37-24-20(7-6-18-22(24)30(14)11-19(23(18)32)26(34)35)29-8-2-3-15-9-17(5-4-16(15)10-29)31-12-21(25(28)33)38-27(31)36/h4-7,9,11,14,21H,2-3,8,10,12-13H2,1H3,(H2,28,33)(H,34,35)/t14?,21-/m1/s1
• InChIKey: ZEGBPHAHIYRILN-OKKPIIHCSA-N
• XLogP: 2.42
• TPSA: 144.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.53
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[7-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid?

The IUPAC name of 6-[7-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid (CID 59995558) is 6-[7-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid.

What is the SMILES notation for 6-[7-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid?

The canonical SMILES for 6-[7-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid is CC1COc2c(N3CCCc4cc(N5C[C@H](C(N)=O)OC5=O)ccc4C3)ccc3c(=O)c(C(=O)O)cn1c23.

What is the InChIKey of 6-[7-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid?

The InChIKey is ZEGBPHAHIYRILN-OKKPIIHCSA-N. The full InChI is InChI=1S/C27H26N4O7/c1-14-13-37-24-20(7-6-18-22(24)30(14)11-19(23(18)32)26(34)35)29-8-2-3-15-9-17(5-4-16(15)10-29)31-12-21(25(28)33)38-27(31)36/h4-7,9,11,14,21H,2-3,8,10,12-13H2,1H3,(H2,28,33)(H,34,35)/t14?,21-/m1/s1.

What are the key properties of 6-[7-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid?

6-[7-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid has a molecular weight of 518.53 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[7-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid is sourced from PubChem (CID 59995558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).