3-[10-[1-(furan-3-ylmethyl)piperidin-4-yl]phenoxazin-3-yl]-2,5-dihydro-1,2,4-oxadiazin-6-one

C25H24N4O4 — CID 143259670

IUPAC3-[10-[1-(furan-3-ylmethyl)piperidin-4-yl]phenoxazin-3-yl]-2,5-dihydro-1,2,4-oxadiazin-6-one
SMILESO=C1CN=C(c2ccc3c(c2)Oc2ccccc2N3C2CCN(Cc3ccoc3)CC2)NO1
InChIInChI=1S/C25H24N4O4/c30-24-14-26-25(27-33-24)18-5-6-21-23(13-18)32-22-4-2-1-3-20(22)29(21)19-7-10-28(11-8-19)15-17-9-12-31-16-17/h1-6,9,12-13,16,19H,7-8,10-11,14-15H2,(H,26,27)
InChIKeyZQPPDUJXPLJBPY-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.00
Rot. Bonds4

About 3-[10-[1-(furan-3-ylmethyl)piperidin-4-yl]phenoxazin-3-yl]-2,5-dihydro-1,2,4-oxadiazin-6-one

3-[10-[1-(furan-3-ylmethyl)piperidin-4-yl]phenoxazin-3-yl]-2,5-dihydro-1,2,4-oxadiazin-6-one (PubChem CID 143259670) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is 3-[10-[1-(furan-3-ylmethyl)piperidin-4-yl]phenoxazin-3-yl]-2,5-dihydro-1,2,4-oxadiazin-6-one.

Molecular Properties

Compound Name3-[10-[1-(furan-3-ylmethyl)piperidin-4-yl]phenoxazin-3-yl]-2,5-dihydro-1,2,4-oxadiazin-6-one
PubChem CID143259670
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name3-[10-[1-(furan-3-ylmethyl)piperidin-4-yl]phenoxazin-3-yl]-2,5-dihydro-1,2,4-oxadiazin-6-one
SMILESO=C1CN=C(c2ccc3c(c2)Oc2ccccc2N3C2CCN(Cc3ccoc3)CC2)NO1
InChIInChI=1S/C25H24N4O4/c30-24-14-26-25(27-33-24)18-5-6-21-23(13-18)32-22-4-2-1-3-20(22)29(21)19-7-10-28(11-8-19)15-17-9-12-31-16-17/h1-6,9,12-13,16,19H,7-8,10-11,14-15H2,(H,26,27)
InChIKeyZQPPDUJXPLJBPY-UHFFFAOYSA-N
XLogP4.00
TPSA79.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[10-[1-(furan-3-ylmethyl)piperidin-4-yl]phenoxazin-3-yl]-2,5-dihydro-1,2,4-oxadiazin-6-one with MolForge

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Related Compounds

10-[8-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-4-ylphenoxazine
CID 11619300
N-ethylethanamine;10-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]phenoxazine-3-carboxylic acid
CID 69471522
diethylamino 10-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]phenoxazine-3-carboxylate
CID 87847686
1-(furan-3-ylmethyl)-4-methylsulfonylpiperidine
CID 121183071
4-(4-cyclopropyltriazol-1-yl)-1-(furan-3-ylmethyl)piperidine
CID 31125414
3-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 74225351
3-pyridin-4-yl-10-[(1S,5R)-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazine
CID 59814684
4-[[3-(3-pyridin-3-ylphenoxazin-10-yl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2H-furan-5-one
CID 68915526
N,N-diethyl-9-[1-(furan-3-ylmethyl)piperidin-4-yl]-9H-xanthene-3-carboxamide
CID 11655206
6-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-methyl-4-phenylimidazo[4,5-c]pyridine
CID 97415259
N-[2-[10-[8-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenothiazin-3-yl]phenyl]acetamide
CID 11577252
(2R,3aR,7aR)-5-(furan-3-ylmethyl)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 124830929

Frequently Asked Questions

What is the IUPAC name of 3-[10-[1-(furan-3-ylmethyl)piperidin-4-yl]phenoxazin-3-yl]-2,5-dihydro-1,2,4-oxadiazin-6-one?
The IUPAC name of 3-[10-[1-(furan-3-ylmethyl)piperidin-4-yl]phenoxazin-3-yl]-2,5-dihydro-1,2,4-oxadiazin-6-one (CID 143259670) is 3-[10-[1-(furan-3-ylmethyl)piperidin-4-yl]phenoxazin-3-yl]-2,5-dihydro-1,2,4-oxadiazin-6-one.
What is the SMILES notation for 3-[10-[1-(furan-3-ylmethyl)piperidin-4-yl]phenoxazin-3-yl]-2,5-dihydro-1,2,4-oxadiazin-6-one?
The canonical SMILES for 3-[10-[1-(furan-3-ylmethyl)piperidin-4-yl]phenoxazin-3-yl]-2,5-dihydro-1,2,4-oxadiazin-6-one is O=C1CN=C(c2ccc3c(c2)Oc2ccccc2N3C2CCN(Cc3ccoc3)CC2)NO1.
What is the InChIKey of 3-[10-[1-(furan-3-ylmethyl)piperidin-4-yl]phenoxazin-3-yl]-2,5-dihydro-1,2,4-oxadiazin-6-one?
The InChIKey is ZQPPDUJXPLJBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c30-24-14-26-25(27-33-24)18-5-6-21-23(13-18)32-22-4-2-1-3-20(22)29(21)19-7-10-28(11-8-19)15-17-9-12-31-16-17/h1-6,9,12-13,16,19H,7-8,10-11,14-15H2,(H,26,27).
What are the key properties of 3-[10-[1-(furan-3-ylmethyl)piperidin-4-yl]phenoxazin-3-yl]-2,5-dihydro-1,2,4-oxadiazin-6-one?
3-[10-[1-(furan-3-ylmethyl)piperidin-4-yl]phenoxazin-3-yl]-2,5-dihydro-1,2,4-oxadiazin-6-one has a molecular weight of 444.49 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-[1-(furan-3-ylmethyl)piperidin-4-yl]phenoxazin-3-yl]-2,5-dihydro-1,2,4-oxadiazin-6-one is sourced from PubChem (CID 143259670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).