(8R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane

C19H31N3O3 — CID 124812434

IUPAC(8R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1cc(CN2CC3(C[C@H](OCC4CCOCC4)CCO3)C2)n(C)n1
InChIInChI=1S/C19H31N3O3/c1-15-9-17(21(2)20-15)11-22-13-19(14-22)10-18(5-8-25-19)24-12-16-3-6-23-7-4-16/h9,16,18H,3-8,10-14H2,1-2H3/t18-/m1/s1
InChIKeyWCIQENDUQYLBCY-GOSISDBHSA-N
MW349.48 g/mol
LogP1.91
Rot. Bonds5

About (8R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane

(8R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124812434) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is (8R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124812434
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name(8R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1cc(CN2CC3(C[C@H](OCC4CCOCC4)CCO3)C2)n(C)n1
InChIInChI=1S/C19H31N3O3/c1-15-9-17(21(2)20-15)11-22-13-19(14-22)10-18(5-8-25-19)24-12-16-3-6-23-7-4-16/h9,16,18H,3-8,10-14H2,1-2H3/t18-/m1/s1
InChIKeyWCIQENDUQYLBCY-GOSISDBHSA-N
XLogP1.91
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(8R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 124807095
2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 131663586
(8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124816647
(8S)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane
CID 124806846
2-[(3-methylthiophen-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 131649957
(8R)-2-(furan-3-ylmethyl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124805158
2-[(5-methylthiophen-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155835158
(8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124810926
2-(4-methylphenyl)-1-[(8R)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124796344
(8R)-8-(cyclopropylmethoxy)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 124804313
N-[[(7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide
CID 124809692
2-cyclopropyl-1-[(8S)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124788334

Frequently Asked Questions

What is the IUPAC name of (8R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane (CID 124812434) is (8R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane is Cc1cc(CN2CC3(C[C@H](OCC4CCOCC4)CCO3)C2)n(C)n1.
What is the InChIKey of (8R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is WCIQENDUQYLBCY-GOSISDBHSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-15-9-17(21(2)20-15)11-22-13-19(14-22)10-18(5-8-25-19)24-12-16-3-6-23-7-4-16/h9,16,18H,3-8,10-14H2,1-2H3/t18-/m1/s1.
What are the key properties of (8R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
(8R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 349.48 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124812434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).