pyrimido[5,4-b][1,4]oxazepine

C7H5N3O — CID 45080290

IUPACpyrimido[5,4-b][1,4]oxazepine
SMILESC1=COc2cncnc2N=C1
InChIInChI=1S/C7H5N3O/c1-2-9-7-6(11-3-1)4-8-5-10-7/h1-5H
InChIKeyUDMDKDZRMHNJMI-UHFFFAOYSA-N
MW147.14 g/mol
LogP1.09
Rot. Bonds

About pyrimido[5,4-b][1,4]oxazepine

pyrimido[5,4-b][1,4]oxazepine (PubChem CID 45080290) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is pyrimido[5,4-b][1,4]oxazepine.

Molecular Properties

Compound Namepyrimido[5,4-b][1,4]oxazepine
PubChem CID45080290
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Namepyrimido[5,4-b][1,4]oxazepine
SMILESC1=COc2cncnc2N=C1
InChIInChI=1S/C7H5N3O/c1-2-9-7-6(11-3-1)4-8-5-10-7/h1-5H
InChIKeyUDMDKDZRMHNJMI-UHFFFAOYSA-N
XLogP1.09
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyrimido[4,5-b][1,4]oxazepine
CID 45080248
3H-dioxolo[4,3-d]pyrimidine
CID 87084704
6H-pyrano[3,2-d]pyrimidine
CID 66624036
1H-pyrimido[4,5-f][1,3,5]triazepine
CID 45080298
pyrazolo[3,4-d]pyrimidin-3-one
CID 66667981
5,6-dimethyl-5H-pyrrolo[2,3-d]pyrimidine
CID 162130382
2-methyl-4H-[1,3,2]dioxaphosphinino[5,4-d]pyrimidine 2-oxide
CID 166551777
5-fluoro-4-(trifluoromethyl)pyrimidine
CID 91431154
1,1-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
CID 176729342
2,8,10-triazabicyclo[5.4.0]undeca-1(11),2,3,5,7,9-hexaene
CID 134572837
3,4-dihydro-1H-pyrimido[4,5-c]oxazine
CID 45080114
spiro[7H-furo[3,2-d]pyrimidine-6,4'-piperidine]
CID 163289339

Frequently Asked Questions

What is the IUPAC name of pyrimido[5,4-b][1,4]oxazepine?
The IUPAC name of pyrimido[5,4-b][1,4]oxazepine (CID 45080290) is pyrimido[5,4-b][1,4]oxazepine.
What is the SMILES notation for pyrimido[5,4-b][1,4]oxazepine?
The canonical SMILES for pyrimido[5,4-b][1,4]oxazepine is C1=COc2cncnc2N=C1.
What is the InChIKey of pyrimido[5,4-b][1,4]oxazepine?
The InChIKey is UDMDKDZRMHNJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c1-2-9-7-6(11-3-1)4-8-5-10-7/h1-5H.
What are the key properties of pyrimido[5,4-b][1,4]oxazepine?
pyrimido[5,4-b][1,4]oxazepine has a molecular weight of 147.14 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimido[5,4-b][1,4]oxazepine is sourced from PubChem (CID 45080290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).