2-(furan-2-yl)-7-methoxy-3,4-dihydro-2H-1,4-benzoxazepin-5-one

C14H13NO4 — CID 22760007

IUPAC2-(furan-2-yl)-7-methoxy-3,4-dihydro-2H-1,4-benzoxazepin-5-one
SMILESCOc1ccc2c(c1)C(=O)NCC(c1ccco1)O2
InChIInChI=1S/C14H13NO4/c1-17-9-4-5-11-10(7-9)14(16)15-8-13(19-11)12-3-2-6-18-12/h2-7,13H,8H2,1H3,(H,15,16)
InChIKeyOGMATIGPFDINRR-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.15
Rot. Bonds2

About 2-(furan-2-yl)-7-methoxy-3,4-dihydro-2H-1,4-benzoxazepin-5-one

2-(furan-2-yl)-7-methoxy-3,4-dihydro-2H-1,4-benzoxazepin-5-one (PubChem CID 22760007) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-(furan-2-yl)-7-methoxy-3,4-dihydro-2H-1,4-benzoxazepin-5-one.

Molecular Properties

Compound Name2-(furan-2-yl)-7-methoxy-3,4-dihydro-2H-1,4-benzoxazepin-5-one
PubChem CID22760007
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name2-(furan-2-yl)-7-methoxy-3,4-dihydro-2H-1,4-benzoxazepin-5-one
SMILESCOc1ccc2c(c1)C(=O)NCC(c1ccco1)O2
InChIInChI=1S/C14H13NO4/c1-17-9-4-5-11-10(7-9)14(16)15-8-13(19-11)12-3-2-6-18-12/h2-7,13H,8H2,1H3,(H,15,16)
InChIKeyOGMATIGPFDINRR-UHFFFAOYSA-N
XLogP2.15
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-7-methoxy-3,4-dihydro-2H-1,4-benzoxazepin-5-one?
The IUPAC name of 2-(furan-2-yl)-7-methoxy-3,4-dihydro-2H-1,4-benzoxazepin-5-one (CID 22760007) is 2-(furan-2-yl)-7-methoxy-3,4-dihydro-2H-1,4-benzoxazepin-5-one.
What is the SMILES notation for 2-(furan-2-yl)-7-methoxy-3,4-dihydro-2H-1,4-benzoxazepin-5-one?
The canonical SMILES for 2-(furan-2-yl)-7-methoxy-3,4-dihydro-2H-1,4-benzoxazepin-5-one is COc1ccc2c(c1)C(=O)NCC(c1ccco1)O2.
What is the InChIKey of 2-(furan-2-yl)-7-methoxy-3,4-dihydro-2H-1,4-benzoxazepin-5-one?
The InChIKey is OGMATIGPFDINRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-17-9-4-5-11-10(7-9)14(16)15-8-13(19-11)12-3-2-6-18-12/h2-7,13H,8H2,1H3,(H,15,16).
What are the key properties of 2-(furan-2-yl)-7-methoxy-3,4-dihydro-2H-1,4-benzoxazepin-5-one?
2-(furan-2-yl)-7-methoxy-3,4-dihydro-2H-1,4-benzoxazepin-5-one has a molecular weight of 259.26 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-7-methoxy-3,4-dihydro-2H-1,4-benzoxazepin-5-one is sourced from PubChem (CID 22760007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).