1-[(5R)-3-[2-[(3S)-3-cyclopropyl-3-methyl-2,5-dihydrothieno[3,2-f][1,4]oxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea

C26H28N4O6S — CID 166930658

About 1-[(5R)-3-[2-[(3S)-3-cyclopropyl-3-methyl-2,5-dihydrothieno[3,2-f][1,4]oxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea

1-[(5R)-3-[2-[(3S)-3-cyclopropyl-3-methyl-2,5-dihydrothieno[3,2-f][1,4]oxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea (PubChem CID 166930658) has the molecular formula C26H28N4O6S and a molecular weight of 524.60 g/mol. Its IUPAC name is 1-[(5R)-3-[2-[(3S)-3-cyclopropyl-3-methyl-2,5-dihydrothieno[3,2-f][1,4]oxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea.

Molecular Properties

• Compound Name: 1-[(5R)-3-[2-[(3S)-3-cyclopropyl-3-methyl-2,5-dihydrothieno[3,2-f][1,4]oxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
• PubChem CID: 166930658
• Molecular Formula: C26H28N4O6S
• Molecular Weight: 524.60 g/mol
• Exact Mass: 524.17
• IUPAC Name: 1-[(5R)-3-[2-[(3S)-3-cyclopropyl-3-methyl-2,5-dihydrothieno[3,2-f][1,4]oxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
• SMILES: CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3ccsc3OC[C@]2(C)C2CC2)C1=O
• InChI: InChI=1S/C26H28N4O6S/c1-25(17-3-4-17)14-35-21-16(8-10-37-21)12-30(25)20(31)13-29-22(32)26(36-24(29)34)9-7-15-11-18(5-6-19(15)26)28-23(33)27-2/h5-6,8,10-11,17H,3-4,7,9,12-14H2,1-2H3,(H2,27,28,33)/t25-,26-/m1/s1
• InChIKey: QJYUDITXZQSNRU-CLJLJLNGSA-N
• XLogP: 3.21
• TPSA: 117.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.60
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-3-[2-[(3S)-3-cyclopropyl-3-methyl-2,5-dihydrothieno[3,2-f][1,4]oxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?

The IUPAC name of 1-[(5R)-3-[2-[(3S)-3-cyclopropyl-3-methyl-2,5-dihydrothieno[3,2-f][1,4]oxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea (CID 166930658) is 1-[(5R)-3-[2-[(3S)-3-cyclopropyl-3-methyl-2,5-dihydrothieno[3,2-f][1,4]oxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea.

What is the SMILES notation for 1-[(5R)-3-[2-[(3S)-3-cyclopropyl-3-methyl-2,5-dihydrothieno[3,2-f][1,4]oxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?

The canonical SMILES for 1-[(5R)-3-[2-[(3S)-3-cyclopropyl-3-methyl-2,5-dihydrothieno[3,2-f][1,4]oxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea is CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3ccsc3OC[C@]2(C)C2CC2)C1=O.

What is the InChIKey of 1-[(5R)-3-[2-[(3S)-3-cyclopropyl-3-methyl-2,5-dihydrothieno[3,2-f][1,4]oxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?

The InChIKey is QJYUDITXZQSNRU-CLJLJLNGSA-N. The full InChI is InChI=1S/C26H28N4O6S/c1-25(17-3-4-17)14-35-21-16(8-10-37-21)12-30(25)20(31)13-29-22(32)26(36-24(29)34)9-7-15-11-18(5-6-19(15)26)28-23(33)27-2/h5-6,8,10-11,17H,3-4,7,9,12-14H2,1-2H3,(H2,27,28,33)/t25-,26-/m1/s1.

What are the key properties of 1-[(5R)-3-[2-[(3S)-3-cyclopropyl-3-methyl-2,5-dihydrothieno[3,2-f][1,4]oxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?

1-[(5R)-3-[2-[(3S)-3-cyclopropyl-3-methyl-2,5-dihydrothieno[3,2-f][1,4]oxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea has a molecular weight of 524.60 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5R)-3-[2-[(3S)-3-cyclopropyl-3-methyl-2,5-dihydrothieno[3,2-f][1,4]oxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea is sourced from PubChem (CID 166930658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).