3-[[4-(1H-imidazol-5-yl)piperidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine

C15H21N5O — CID 136568432

IUPAC3-[[4-(1H-imidazol-5-yl)piperidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
SMILESc1ncc(C2CCN(Cc3cnc4n3CCOC4)CC2)[nH]1
InChIInChI=1S/C15H21N5O/c1-3-19(4-2-12(1)14-8-16-11-18-14)9-13-7-17-15-10-21-6-5-20(13)15/h7-8,11-12H,1-6,9-10H2,(H,16,18)
InChIKeyKIMUSUWJESLKDT-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.52
Rot. Bonds3

About 3-[[4-(1H-imidazol-5-yl)piperidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine

3-[[4-(1H-imidazol-5-yl)piperidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (PubChem CID 136568432) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-[[4-(1H-imidazol-5-yl)piperidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name3-[[4-(1H-imidazol-5-yl)piperidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
PubChem CID136568432
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-[[4-(1H-imidazol-5-yl)piperidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
SMILESc1ncc(C2CCN(Cc3cnc4n3CCOC4)CC2)[nH]1
InChIInChI=1S/C15H21N5O/c1-3-19(4-2-12(1)14-8-16-11-18-14)9-13-7-17-15-10-21-6-5-20(13)15/h7-8,11-12H,1-6,9-10H2,(H,16,18)
InChIKeyKIMUSUWJESLKDT-UHFFFAOYSA-N
XLogP1.52
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 138053387
3-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 126951991
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
1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120848543
N-cyclopropyl-1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 136568182
2-[2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914958
4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-ol
CID 146140644
4-(1H-imidazol-5-yl)piperidine-1-carbaldehyde
CID 142698027
1-butan-2-yl-4-(1H-imidazol-5-yl)piperidine
CID 167991940
1-benzyl-6-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1,6-diazaspiro[3.3]heptan-2-one
CID 146106500
2-cyclopropyl-1-[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone
CID 97467064
N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide;methane
CID 172873053

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1H-imidazol-5-yl)piperidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The IUPAC name of 3-[[4-(1H-imidazol-5-yl)piperidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (CID 136568432) is 3-[[4-(1H-imidazol-5-yl)piperidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine.
What is the SMILES notation for 3-[[4-(1H-imidazol-5-yl)piperidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The canonical SMILES for 3-[[4-(1H-imidazol-5-yl)piperidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is c1ncc(C2CCN(Cc3cnc4n3CCOC4)CC2)[nH]1.
What is the InChIKey of 3-[[4-(1H-imidazol-5-yl)piperidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The InChIKey is KIMUSUWJESLKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-19(4-2-12(1)14-8-16-11-18-14)9-13-7-17-15-10-21-6-5-20(13)15/h7-8,11-12H,1-6,9-10H2,(H,16,18).
What are the key properties of 3-[[4-(1H-imidazol-5-yl)piperidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
3-[[4-(1H-imidazol-5-yl)piperidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine has a molecular weight of 287.37 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1H-imidazol-5-yl)piperidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is sourced from PubChem (CID 136568432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).