(4S,5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane

C16H26N2O3 — CID 97452413

IUPAC(4S,5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane
SMILESCOC[C@@H]1CCC[C@]12CN(Cc1c(C)noc1C)CCO2
InChIInChI=1S/C16H26N2O3/c1-12-15(13(2)21-17-12)9-18-7-8-20-16(11-18)6-4-5-14(16)10-19-3/h14H,4-11H2,1-3H3/t14-,16-/m0/s1
InChIKeyPFGVIWBUHPDZET-HOCLYGCPSA-N
MW294.39 g/mol
LogP2.31
Rot. Bonds4

About (4S,5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane

(4S,5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane (PubChem CID 97452413) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is (4S,5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4S,5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane
PubChem CID97452413
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name(4S,5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane
SMILESCOC[C@@H]1CCC[C@]12CN(Cc1c(C)noc1C)CCO2
InChIInChI=1S/C16H26N2O3/c1-12-15(13(2)21-17-12)9-18-7-8-20-16(11-18)6-4-5-14(16)10-19-3/h14H,4-11H2,1-3H3/t14-,16-/m0/s1
InChIKeyPFGVIWBUHPDZET-HOCLYGCPSA-N
XLogP2.31
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R,5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane
CID 97451713
2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-N,N-dimethylacetamide
CID 133142947
[(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 98776933
(4S,5S)-9-(5-ethylpyrimidin-2-yl)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane
CID 98776855
(4S,5S)-9-[(5-methylfuran-2-yl)methyl]-4-(propan-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decane
CID 124815283
(5S)-10-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384859
(4S,5R)-4-(methoxymethyl)-9-pyridin-2-yl-6-oxa-9-azaspiro[4.5]decane
CID 97452416
(4S,5S)-9-[(5-methylfuran-2-yl)methyl]-4-(prop-2-enoxymethyl)-6-oxa-9-azaspiro[4.5]decane
CID 97375141
(4S,5S)-4-(ethoxymethyl)-9-[(1-methylpyrazol-4-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
CID 97375124
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907958
[(4S,5S)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 131683793
(4S,5S)-4-(pyridin-2-yloxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane
CID 124807188

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (4S,5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane (CID 97452413) is (4S,5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (4S,5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (4S,5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane is COC[C@@H]1CCC[C@]12CN(Cc1c(C)noc1C)CCO2.
What is the InChIKey of (4S,5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is PFGVIWBUHPDZET-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12-15(13(2)21-17-12)9-18-7-8-20-16(11-18)6-4-5-14(16)10-19-3/h14H,4-11H2,1-3H3/t14-,16-/m0/s1.
What are the key properties of (4S,5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane?
(4S,5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 294.39 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 97452413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).