tert-butyl N-methylcarbamate;6-[8-[[8-fluoro-2-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one

C32H40FN7O8 — CID 167514815

About tert-butyl N-methylcarbamate;6-[8-[[8-fluoro-2-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one

tert-butyl N-methylcarbamate;6-[8-[[8-fluoro-2-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one (PubChem CID 167514815) has the molecular formula C32H40FN7O8 and a molecular weight of 669.71 g/mol. Its IUPAC name is tert-butyl N-methylcarbamate;6-[8-[[8-fluoro-2-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one.

Molecular Properties

• Compound Name: tert-butyl N-methylcarbamate;6-[8-[[8-fluoro-2-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
• PubChem CID: 167514815
• Molecular Formula: C32H40FN7O8
• Molecular Weight: 669.71 g/mol
• Exact Mass: 669.29
• IUPAC Name: tert-butyl N-methylcarbamate;6-[8-[[8-fluoro-2-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
• SMILES: CNC(=O)OC(C)(C)C.O=C1COc2ncc(N3CC4(CCN(CC5Cc6cc7nc(CCO)oc7c(F)c6C5)CC4)OC3=O)nc2N1
• InChI: InChI=1S/C26H27FN6O6.C6H13NO2/c27-21-16-8-14(7-15(16)9-17-22(21)38-20(29-17)1-6-34)11-32-4-2-26(3-5-32)13-33(25(36)39-26)18-10-28-24-23(30-18)31-19(35)12-37-24;1-6(2,3)9-5(8)7-4/h9-10,14,34H,1-8,11-13H2,(H,30,31,35);1-4H3,(H,7,8)
• InChIKey: BHFAZYMIJPQWIH-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 181.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.71
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methylcarbamate;6-[8-[[8-fluoro-2-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?

The IUPAC name of tert-butyl N-methylcarbamate;6-[8-[[8-fluoro-2-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one (CID 167514815) is tert-butyl N-methylcarbamate;6-[8-[[8-fluoro-2-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one.

What is the SMILES notation for tert-butyl N-methylcarbamate;6-[8-[[8-fluoro-2-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?

The canonical SMILES for tert-butyl N-methylcarbamate;6-[8-[[8-fluoro-2-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one is CNC(=O)OC(C)(C)C.O=C1COc2ncc(N3CC4(CCN(CC5Cc6cc7nc(CCO)oc7c(F)c6C5)CC4)OC3=O)nc2N1.

What is the InChIKey of tert-butyl N-methylcarbamate;6-[8-[[8-fluoro-2-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?

The InChIKey is BHFAZYMIJPQWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O6.C6H13NO2/c27-21-16-8-14(7-15(16)9-17-22(21)38-20(29-17)1-6-34)11-32-4-2-26(3-5-32)13-33(25(36)39-26)18-10-28-24-23(30-18)31-19(35)12-37-24;1-6(2,3)9-5(8)7-4/h9-10,14,34H,1-8,11-13H2,(H,30,31,35);1-4H3,(H,7,8).

What are the key properties of tert-butyl N-methylcarbamate;6-[8-[[8-fluoro-2-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?

tert-butyl N-methylcarbamate;6-[8-[[8-fluoro-2-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one has a molecular weight of 669.71 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-methylcarbamate;6-[8-[[8-fluoro-2-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one is sourced from PubChem (CID 167514815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).