7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine

C12H13N3O — CID 141396714

IUPAC7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine
SMILESCc1cn(C2=CN3CCOC=C3C=C2)cn1
InChIInChI=1S/C12H13N3O/c1-10-6-15(9-13-10)11-2-3-12-8-16-5-4-14(12)7-11/h2-3,6-9H,4-5H2,1H3
InChIKeyBLFYEJJQJPMKOH-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.73
Rot. Bonds1

About 7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine

7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine (PubChem CID 141396714) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine
PubChem CID141396714
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine
SMILESCc1cn(C2=CN3CCOC=C3C=C2)cn1
InChIInChI=1S/C12H13N3O/c1-10-6-15(9-13-10)11-2-3-12-8-16-5-4-14(12)7-11/h2-3,6-9H,4-5H2,1H3
InChIKeyBLFYEJJQJPMKOH-UHFFFAOYSA-N
XLogP1.73
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine?
The IUPAC name of 7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine (CID 141396714) is 7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine.
What is the SMILES notation for 7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine?
The canonical SMILES for 7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine is Cc1cn(C2=CN3CCOC=C3C=C2)cn1.
What is the InChIKey of 7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine?
The InChIKey is BLFYEJJQJPMKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-10-6-15(9-13-10)11-2-3-12-8-16-5-4-14(12)7-11/h2-3,6-9H,4-5H2,1H3.
What are the key properties of 7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine?
7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine has a molecular weight of 215.26 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine is sourced from PubChem (CID 141396714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).