1H-pyrimido[5,4-c]oxazepin-3-one

C7H5N3O2 — CID 69034337

IUPAC1H-pyrimido[5,4-c]oxazepin-3-one
SMILESO=C1C=Cc2ncncc2NO1
InChIInChI=1S/C7H5N3O2/c11-7-2-1-5-6(10-12-7)3-8-4-9-5/h1-4,10H
InChIKeyGHGLDVYEWBLPJO-UHFFFAOYSA-N
MW163.14 g/mol
LogP0.37
Rot. Bonds

About 1H-pyrimido[5,4-c]oxazepin-3-one

1H-pyrimido[5,4-c]oxazepin-3-one (PubChem CID 69034337) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is 1H-pyrimido[5,4-c]oxazepin-3-one.

Molecular Properties

Compound Name1H-pyrimido[5,4-c]oxazepin-3-one
PubChem CID69034337
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Name1H-pyrimido[5,4-c]oxazepin-3-one
SMILESO=C1C=Cc2ncncc2NO1
InChIInChI=1S/C7H5N3O2/c11-7-2-1-5-6(10-12-7)3-8-4-9-5/h1-4,10H
InChIKeyGHGLDVYEWBLPJO-UHFFFAOYSA-N
XLogP0.37
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 22719619
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pyrimido[4,5-g]quinazoline-5,10-dione
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thiadiazolo[5,4-d]pyrimidine 3,3-dioxide
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Frequently Asked Questions

What is the IUPAC name of 1H-pyrimido[5,4-c]oxazepin-3-one?
The IUPAC name of 1H-pyrimido[5,4-c]oxazepin-3-one (CID 69034337) is 1H-pyrimido[5,4-c]oxazepin-3-one.
What is the SMILES notation for 1H-pyrimido[5,4-c]oxazepin-3-one?
The canonical SMILES for 1H-pyrimido[5,4-c]oxazepin-3-one is O=C1C=Cc2ncncc2NO1.
What is the InChIKey of 1H-pyrimido[5,4-c]oxazepin-3-one?
The InChIKey is GHGLDVYEWBLPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c11-7-2-1-5-6(10-12-7)3-8-4-9-5/h1-4,10H.
What are the key properties of 1H-pyrimido[5,4-c]oxazepin-3-one?
1H-pyrimido[5,4-c]oxazepin-3-one has a molecular weight of 163.14 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrimido[5,4-c]oxazepin-3-one is sourced from PubChem (CID 69034337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).