6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl-(3-ethynylazetidin-1-yl)methanone

C12H13N3O2 — CID 136554458

IUPAC6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl-(3-ethynylazetidin-1-yl)methanone
SMILESC#CC1CN(C(=O)c2cnc3n2CCOC3)C1
InChIInChI=1S/C12H13N3O2/c1-2-9-6-14(7-9)12(16)10-5-13-11-8-17-4-3-15(10)11/h1,5,9H,3-4,6-8H2
InChIKeyLQCWBXVFLFZXIB-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.12
Rot. Bonds1

About 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl-(3-ethynylazetidin-1-yl)methanone

6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl-(3-ethynylazetidin-1-yl)methanone (PubChem CID 136554458) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl-(3-ethynylazetidin-1-yl)methanone.

Molecular Properties

Compound Name6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl-(3-ethynylazetidin-1-yl)methanone
PubChem CID136554458
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl-(3-ethynylazetidin-1-yl)methanone
SMILESC#CC1CN(C(=O)c2cnc3n2CCOC3)C1
InChIInChI=1S/C12H13N3O2/c1-2-9-6-14(7-9)12(16)10-5-13-11-8-17-4-3-15(10)11/h1,5,9H,3-4,6-8H2
InChIKeyLQCWBXVFLFZXIB-UHFFFAOYSA-N
XLogP0.12
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-2,2-difluoropropan-1-one
CID 164651738
1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 166389980
(7-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)-morpholin-4-ylmethanone
CID 124788247
N-[1-(2,2-difluoroethyl)indazol-3-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxamide
CID 139018596
morpholin-4-yl-[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methanone
CID 134072230
[7-(cyclobutylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone
CID 97408516
[7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]-morpholin-4-ylmethanone
CID 97468792
N-cyclopropyl-1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 136568182
(5R)-6-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 71314127
(3aR,6aR)-2-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxamide
CID 136587347
3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 126893920
[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methanone
CID 139006441

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl-(3-ethynylazetidin-1-yl)methanone?
The IUPAC name of 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl-(3-ethynylazetidin-1-yl)methanone (CID 136554458) is 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl-(3-ethynylazetidin-1-yl)methanone.
What is the SMILES notation for 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl-(3-ethynylazetidin-1-yl)methanone?
The canonical SMILES for 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl-(3-ethynylazetidin-1-yl)methanone is C#CC1CN(C(=O)c2cnc3n2CCOC3)C1.
What is the InChIKey of 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl-(3-ethynylazetidin-1-yl)methanone?
The InChIKey is LQCWBXVFLFZXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-9-6-14(7-9)12(16)10-5-13-11-8-17-4-3-15(10)11/h1,5,9H,3-4,6-8H2.
What are the key properties of 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl-(3-ethynylazetidin-1-yl)methanone?
6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl-(3-ethynylazetidin-1-yl)methanone has a molecular weight of 231.25 g/mol, XLogP of 0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl-(3-ethynylazetidin-1-yl)methanone is sourced from PubChem (CID 136554458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).