6-[(2-methyl-1,3-oxazol-4-yl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine]

C18H22N2O3 — CID 146041352

IUPAC6-[(2-methyl-1,3-oxazol-4-yl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine]
SMILESCc1nc(COc2ccc3c(c2)CCOC32CCNCC2)co1
InChIInChI=1S/C18H22N2O3/c1-13-20-15(11-21-13)12-22-16-2-3-17-14(10-16)4-9-23-18(17)5-7-19-8-6-18/h2-3,10-11,19H,4-9,12H2,1H3
InChIKeyHCAZOVJQBFXBSD-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.71
Rot. Bonds3

About 6-[(2-methyl-1,3-oxazol-4-yl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine]

6-[(2-methyl-1,3-oxazol-4-yl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine] (PubChem CID 146041352) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-[(2-methyl-1,3-oxazol-4-yl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine].

Molecular Properties

Compound Name6-[(2-methyl-1,3-oxazol-4-yl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine]
PubChem CID146041352
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name6-[(2-methyl-1,3-oxazol-4-yl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine]
SMILESCc1nc(COc2ccc3c(c2)CCOC32CCNCC2)co1
InChIInChI=1S/C18H22N2O3/c1-13-20-15(11-21-13)12-22-16-2-3-17-14(10-16)4-9-23-18(17)5-7-19-8-6-18/h2-3,10-11,19H,4-9,12H2,1H3
InChIKeyHCAZOVJQBFXBSD-UHFFFAOYSA-N
XLogP2.71
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-1,3-oxazol-4-yl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine]?
The IUPAC name of 6-[(2-methyl-1,3-oxazol-4-yl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine] (CID 146041352) is 6-[(2-methyl-1,3-oxazol-4-yl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine].
What is the SMILES notation for 6-[(2-methyl-1,3-oxazol-4-yl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine]?
The canonical SMILES for 6-[(2-methyl-1,3-oxazol-4-yl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine] is Cc1nc(COc2ccc3c(c2)CCOC32CCNCC2)co1.
What is the InChIKey of 6-[(2-methyl-1,3-oxazol-4-yl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine]?
The InChIKey is HCAZOVJQBFXBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13-20-15(11-21-13)12-22-16-2-3-17-14(10-16)4-9-23-18(17)5-7-19-8-6-18/h2-3,10-11,19H,4-9,12H2,1H3.
What are the key properties of 6-[(2-methyl-1,3-oxazol-4-yl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine]?
6-[(2-methyl-1,3-oxazol-4-yl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine] has a molecular weight of 314.39 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-1,3-oxazol-4-yl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine] is sourced from PubChem (CID 146041352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).