8-(1-fluoroethenyl)-7-methyl-5H-imidazo[1,2-c][1,3]oxazine;prop-1-ene

C12H15FN2O — CID 177136851

IUPAC8-(1-fluoroethenyl)-7-methyl-5H-imidazo[1,2-c][1,3]oxazine;prop-1-ene
SMILESC=C(F)C1=C(C)OCn2ccnc21.C=CC
InChIInChI=1S/C9H9FN2O.C3H6/c1-6(10)8-7(2)13-5-12-4-3-11-9(8)12;1-3-2/h3-4H,1,5H2,2H3;3H,1H2,2H3
InChIKeyHVWCSJCPTNZDIU-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.28
Rot. Bonds1

About 8-(1-fluoroethenyl)-7-methyl-5H-imidazo[1,2-c][1,3]oxazine;prop-1-ene

8-(1-fluoroethenyl)-7-methyl-5H-imidazo[1,2-c][1,3]oxazine;prop-1-ene (PubChem CID 177136851) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 8-(1-fluoroethenyl)-7-methyl-5H-imidazo[1,2-c][1,3]oxazine;prop-1-ene.

Molecular Properties

Compound Name8-(1-fluoroethenyl)-7-methyl-5H-imidazo[1,2-c][1,3]oxazine;prop-1-ene
PubChem CID177136851
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name8-(1-fluoroethenyl)-7-methyl-5H-imidazo[1,2-c][1,3]oxazine;prop-1-ene
SMILESC=C(F)C1=C(C)OCn2ccnc21.C=CC
InChIInChI=1S/C9H9FN2O.C3H6/c1-6(10)8-7(2)13-5-12-4-3-11-9(8)12;1-3-2/h3-4H,1,5H2,2H3;3H,1H2,2H3
InChIKeyHVWCSJCPTNZDIU-UHFFFAOYSA-N
XLogP3.28
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Iridium;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole
CID 58202901
(Z)-N-[3-bromo-8-(1-fluoroethenyl)-5H-imidazo[1,2-c][1,3]oxazin-7-yl]ethanimine
CID 177136647
N-[(E)-2-fluoro-2-(7-methyl-5H-imidazo[1,2-c][1,3]oxazin-8-yl)ethenyl]methanimine
CID 177136648
7-ethenyl-8-(1-fluoroethenyl)-5H-imidazo[1,2-c][1,3]oxazine
CID 177136746
8-(1-fluoroethenyl)-7-methyl-5H-imidazo[1,2-c][1,3]oxazine
CID 177136852
iridium;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide
CID 57816041
Lithium 1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole
CID 58162938
2-(4-Fluorobenzene-6-id-1-yl)-1-methylimidazole;iridium
CID 58769475
2-(2,4-Dimethoxybenzene-6-id-1-yl)-1-methylimidazole;iridium
CID 58769491
Iridium;2-(3-methoxybenzene-6-id-1-yl)-1-methylimidazole
CID 59348254
2-Buta-1,3-dien-2-yl-1-methylimidazole
CID 87132490
1-Methyl-2-(2-methylbuta-1,3-dienyl)imidazole
CID 91375566

Frequently Asked Questions

What is the IUPAC name of 8-(1-fluoroethenyl)-7-methyl-5H-imidazo[1,2-c][1,3]oxazine;prop-1-ene?
The IUPAC name of 8-(1-fluoroethenyl)-7-methyl-5H-imidazo[1,2-c][1,3]oxazine;prop-1-ene (CID 177136851) is 8-(1-fluoroethenyl)-7-methyl-5H-imidazo[1,2-c][1,3]oxazine;prop-1-ene.
What is the SMILES notation for 8-(1-fluoroethenyl)-7-methyl-5H-imidazo[1,2-c][1,3]oxazine;prop-1-ene?
The canonical SMILES for 8-(1-fluoroethenyl)-7-methyl-5H-imidazo[1,2-c][1,3]oxazine;prop-1-ene is C=C(F)C1=C(C)OCn2ccnc21.C=CC.
What is the InChIKey of 8-(1-fluoroethenyl)-7-methyl-5H-imidazo[1,2-c][1,3]oxazine;prop-1-ene?
The InChIKey is HVWCSJCPTNZDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O.C3H6/c1-6(10)8-7(2)13-5-12-4-3-11-9(8)12;1-3-2/h3-4H,1,5H2,2H3;3H,1H2,2H3.
What are the key properties of 8-(1-fluoroethenyl)-7-methyl-5H-imidazo[1,2-c][1,3]oxazine;prop-1-ene?
8-(1-fluoroethenyl)-7-methyl-5H-imidazo[1,2-c][1,3]oxazine;prop-1-ene has a molecular weight of 222.26 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-fluoroethenyl)-7-methyl-5H-imidazo[1,2-c][1,3]oxazine;prop-1-ene is sourced from PubChem (CID 177136851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).