oxan-4-yl-[(7R)-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone

C17H23N3O3 — CID 125004221

IUPACoxan-4-yl-[(7R)-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone
SMILESO=C(C1CCOCC1)N1CC2(CO[C@H](Cc3cncnc3)C2)C1
InChIInChI=1S/C17H23N3O3/c21-16(14-1-3-22-4-2-14)20-9-17(10-20)6-15(23-11-17)5-13-7-18-12-19-8-13/h7-8,12,14-15H,1-6,9-11H2/t15-/m1/s1
InChIKeySXAYZFOTAYQIDK-OAHLLOKOSA-N
MW317.39 g/mol
LogP1.06
Rot. Bonds3

About oxan-4-yl-[(7R)-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone

oxan-4-yl-[(7R)-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 125004221) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is oxan-4-yl-[(7R)-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Nameoxan-4-yl-[(7R)-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone
PubChem CID125004221
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Nameoxan-4-yl-[(7R)-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone
SMILESO=C(C1CCOCC1)N1CC2(CO[C@H](Cc3cncnc3)C2)C1
InChIInChI=1S/C17H23N3O3/c21-16(14-1-3-22-4-2-14)20-9-17(10-20)6-15(23-11-17)5-13-7-18-12-19-8-13/h7-8,12,14-15H,1-6,9-11H2/t15-/m1/s1
InChIKeySXAYZFOTAYQIDK-OAHLLOKOSA-N
XLogP1.06
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze oxan-4-yl-[(7R)-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone with MolForge

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Related Compounds

phenyl-[(7R)-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 125009346
(2-methylpyrazol-3-yl)-[7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 110138594
(4-methoxyphenyl)-[7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 127252504
cyclohexyl-[(3R)-3-(pyridin-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 125009836
pyrazin-2-yl-[(7S)-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124958270
2-[(3-fluorophenyl)methyl]-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octane
CID 110138596
[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone
CID 97418040
[(3S)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone
CID 97418259
[3a-[(dimethylamino)methyl]-2-(pyrimidin-5-ylmethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(oxan-4-yl)methanone
CID 138382749
(3S)-8-[(1-methylimidazol-2-yl)methyl]-3-(pyrimidin-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124960043
8-[(1-methylimidazol-2-yl)methyl]-3-(pyrimidin-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 110138396
[(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(oxan-4-yl)methanone
CID 124961439

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[(7R)-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of oxan-4-yl-[(7R)-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone (CID 125004221) is oxan-4-yl-[(7R)-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone.
What is the SMILES notation for oxan-4-yl-[(7R)-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for oxan-4-yl-[(7R)-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone is O=C(C1CCOCC1)N1CC2(CO[C@H](Cc3cncnc3)C2)C1.
What is the InChIKey of oxan-4-yl-[(7R)-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The InChIKey is SXAYZFOTAYQIDK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-16(14-1-3-22-4-2-14)20-9-17(10-20)6-15(23-11-17)5-13-7-18-12-19-8-13/h7-8,12,14-15H,1-6,9-11H2/t15-/m1/s1.
What are the key properties of oxan-4-yl-[(7R)-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
oxan-4-yl-[(7R)-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 317.39 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[(7R)-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 125004221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).