6-[5-[(3-aminoazetidin-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]-4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one

C23H26N4O5 — CID 66751937

IUPAC6-[5-[(3-aminoazetidin-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]-4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one
SMILESCOc1ccc(CN2C(=O)COc3ccc(N4CC(CN5CC(N)C5)OC4=O)cc32)cc1
InChIInChI=1S/C23H26N4O5/c1-30-18-5-2-15(3-6-18)9-27-20-8-17(4-7-21(20)31-14-22(27)28)26-13-19(32-23(26)29)12-25-10-16(24)11-25/h2-8,16,19H,9-14,24H2,1H3
InChIKeyQQQKJWAXZZEHKC-UHFFFAOYSA-N
MW438.48 g/mol
LogP1.59
Rot. Bonds6

About 6-[5-[(3-aminoazetidin-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]-4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one

6-[5-[(3-aminoazetidin-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]-4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one (PubChem CID 66751937) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is 6-[5-[(3-aminoazetidin-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]-4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[5-[(3-aminoazetidin-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]-4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one
PubChem CID66751937
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name6-[5-[(3-aminoazetidin-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]-4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one
SMILESCOc1ccc(CN2C(=O)COc3ccc(N4CC(CN5CC(N)C5)OC4=O)cc32)cc1
InChIInChI=1S/C23H26N4O5/c1-30-18-5-2-15(3-6-18)9-27-20-8-17(4-7-21(20)31-14-22(27)28)26-13-19(32-23(26)29)12-25-10-16(24)11-25/h2-8,16,19H,9-14,24H2,1H3
InChIKeyQQQKJWAXZZEHKC-UHFFFAOYSA-N
XLogP1.59
TPSA97.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[5-[(3-aminoazetidin-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]-4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(3-aminoazetidin-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]-4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one?
The IUPAC name of 6-[5-[(3-aminoazetidin-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]-4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one (CID 66751937) is 6-[5-[(3-aminoazetidin-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]-4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[5-[(3-aminoazetidin-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]-4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[5-[(3-aminoazetidin-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]-4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one is COc1ccc(CN2C(=O)COc3ccc(N4CC(CN5CC(N)C5)OC4=O)cc32)cc1.
What is the InChIKey of 6-[5-[(3-aminoazetidin-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]-4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one?
The InChIKey is QQQKJWAXZZEHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-30-18-5-2-15(3-6-18)9-27-20-8-17(4-7-21(20)31-14-22(27)28)26-13-19(32-23(26)29)12-25-10-16(24)11-25/h2-8,16,19H,9-14,24H2,1H3.
What are the key properties of 6-[5-[(3-aminoazetidin-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]-4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one?
6-[5-[(3-aminoazetidin-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]-4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one has a molecular weight of 438.48 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(3-aminoazetidin-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]-4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 66751937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).