5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-3-pyridin-4-yl-1,2-oxazole

C19H25N3O2 — CID 135100692

IUPAC5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-3-pyridin-4-yl-1,2-oxazole
SMILESCO[C@@H]1CCC[C@]12CCCN(Cc1cc(-c3ccncc3)no1)C2
InChIInChI=1S/C19H25N3O2/c1-23-18-4-2-7-19(18)8-3-11-22(14-19)13-16-12-17(21-24-16)15-5-9-20-10-6-15/h5-6,9-10,12,18H,2-4,7-8,11,13-14H2,1H3/t18-,19-/m1/s1
InChIKeyKDILZRGVISYURU-RTBURBONSA-N
MW327.43 g/mol
LogP3.52
Rot. Bonds4

About 5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-3-pyridin-4-yl-1,2-oxazole

5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-3-pyridin-4-yl-1,2-oxazole (PubChem CID 135100692) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-3-pyridin-4-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-3-pyridin-4-yl-1,2-oxazole
PubChem CID135100692
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-3-pyridin-4-yl-1,2-oxazole
SMILESCO[C@@H]1CCC[C@]12CCCN(Cc1cc(-c3ccncc3)no1)C2
InChIInChI=1S/C19H25N3O2/c1-23-18-4-2-7-19(18)8-3-11-22(14-19)13-16-12-17(21-24-16)15-5-9-20-10-6-15/h5-6,9-10,12,18H,2-4,7-8,11,13-14H2,1H3/t18-,19-/m1/s1
InChIKeyKDILZRGVISYURU-RTBURBONSA-N
XLogP3.52
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-3-pyridin-4-yl-1,2-oxazole with MolForge

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Related Compounds

(4R,5R)-4-methoxy-7-[(4-pyridin-2-ylphenyl)methyl]-7-azaspiro[4.5]decane
CID 165427222
(4R,5R)-7-[(5-ethylthiophen-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135105548
(4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135089438
(4R,5R)-7-[(2-chloro-5-fluorophenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135091609
(4R,5R)-7-[(2-chloro-4-methylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135105810
8-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]quinoline
CID 165423233
(4R,5R)-4-methoxy-7-[[4-(3-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decane
CID 166619064
3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyridin-2-one
CID 165421706
2-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]ethanol
CID 135104434
3-[5-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 135089383
(4R,5R)-7-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 165424063
(1R,3S)-3-methoxy-7-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-7-azaspiro[3.5]nonan-1-ol
CID 70746644

Frequently Asked Questions

What is the IUPAC name of 5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-3-pyridin-4-yl-1,2-oxazole?
The IUPAC name of 5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-3-pyridin-4-yl-1,2-oxazole (CID 135100692) is 5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-3-pyridin-4-yl-1,2-oxazole.
What is the SMILES notation for 5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-3-pyridin-4-yl-1,2-oxazole?
The canonical SMILES for 5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-3-pyridin-4-yl-1,2-oxazole is CO[C@@H]1CCC[C@]12CCCN(Cc1cc(-c3ccncc3)no1)C2.
What is the InChIKey of 5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-3-pyridin-4-yl-1,2-oxazole?
The InChIKey is KDILZRGVISYURU-RTBURBONSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-23-18-4-2-7-19(18)8-3-11-22(14-19)13-16-12-17(21-24-16)15-5-9-20-10-6-15/h5-6,9-10,12,18H,2-4,7-8,11,13-14H2,1H3/t18-,19-/m1/s1.
What are the key properties of 5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-3-pyridin-4-yl-1,2-oxazole?
5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-3-pyridin-4-yl-1,2-oxazole has a molecular weight of 327.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-3-pyridin-4-yl-1,2-oxazole is sourced from PubChem (CID 135100692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).