2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide

C21H24BrN3O5 — CID 55687401

IUPAC2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
SMILESCc1ccc(C(CNC(=O)CN2C(=O)COc3cc(Br)ccc32)N2CCOCC2)o1
InChIInChI=1S/C21H24BrN3O5/c1-14-2-5-18(30-14)17(24-6-8-28-9-7-24)11-23-20(26)12-25-16-4-3-15(22)10-19(16)29-13-21(25)27/h2-5,10,17H,6-9,11-13H2,1H3,(H,23,26)
InChIKeyADWMJTZMIMYUOM-UHFFFAOYSA-N
MW478.34 g/mol
LogP2.27
Rot. Bonds6

About 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide

2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide (PubChem CID 55687401) has the molecular formula C21H24BrN3O5 and a molecular weight of 478.34 g/mol. Its IUPAC name is 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
PubChem CID55687401
Molecular FormulaC21H24BrN3O5
Molecular Weight478.34 g/mol
Exact Mass477.09
IUPAC Name2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
SMILESCc1ccc(C(CNC(=O)CN2C(=O)COc3cc(Br)ccc32)N2CCOCC2)o1
InChIInChI=1S/C21H24BrN3O5/c1-14-2-5-18(30-14)17(24-6-8-28-9-7-24)11-23-20(26)12-25-16-4-3-15(22)10-19(16)29-13-21(25)27/h2-5,10,17H,6-9,11-13H2,1H3,(H,23,26)
InChIKeyADWMJTZMIMYUOM-UHFFFAOYSA-N
XLogP2.27
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 55899310
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 125170167
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(methylamino)ethyl]acetamide
CID 119502516
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 9462812
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-propylacetamide
CID 39043950
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
CID 52589597
2-(methylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 120703417
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 51283060
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyrazol-1-ylacetamide
CID 94177106
3-(2-bromophenyl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
CID 55713227
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylethyl)acetamide
CID 38952079

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide?
The IUPAC name of 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide (CID 55687401) is 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide.
What is the SMILES notation for 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide?
The canonical SMILES for 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide is Cc1ccc(C(CNC(=O)CN2C(=O)COc3cc(Br)ccc32)N2CCOCC2)o1.
What is the InChIKey of 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide?
The InChIKey is ADWMJTZMIMYUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O5/c1-14-2-5-18(30-14)17(24-6-8-28-9-7-24)11-23-20(26)12-25-16-4-3-15(22)10-19(16)29-13-21(25)27/h2-5,10,17H,6-9,11-13H2,1H3,(H,23,26).
What are the key properties of 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide?
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide has a molecular weight of 478.34 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide is sourced from PubChem (CID 55687401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).