(3R)-3-(pyridin-4-ylmethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane

C19H25N3O2S — CID 97486150

IUPAC(3R)-3-(pyridin-4-ylmethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESc1cc(COC[C@H]2CC3(CCN(Cc4nccs4)CC3)CO2)ccn1
InChIInChI=1S/C19H25N3O2S/c1-5-20-6-2-16(1)13-23-14-17-11-19(15-24-17)3-8-22(9-4-19)12-18-21-7-10-25-18/h1-2,5-7,10,17H,3-4,8-9,11-15H2/t17-/m1/s1
InChIKeyOXCBBMJEZCGOKJ-QGZVFWFLSA-N
MW359.50 g/mol
LogP3.13
Rot. Bonds6

About (3R)-3-(pyridin-4-ylmethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane

(3R)-3-(pyridin-4-ylmethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane (PubChem CID 97486150) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is (3R)-3-(pyridin-4-ylmethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-(pyridin-4-ylmethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
PubChem CID97486150
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name(3R)-3-(pyridin-4-ylmethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESc1cc(COC[C@H]2CC3(CCN(Cc4nccs4)CC3)CO2)ccn1
InChIInChI=1S/C19H25N3O2S/c1-5-20-6-2-16(1)13-23-14-17-11-19(15-24-17)3-8-22(9-4-19)12-18-21-7-10-25-18/h1-2,5-7,10,17H,3-4,8-9,11-15H2/t17-/m1/s1
InChIKeyOXCBBMJEZCGOKJ-QGZVFWFLSA-N
XLogP3.13
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-benzyl-3-(pyridin-4-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155840021
3-(pyridin-2-ylmethoxymethyl)-8-(thiophen-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131645218
3-(pyridin-3-yloxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155852908
3-(pyridin-3-ylmethoxymethyl)-8-(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131651226
furan-2-yl-[3-(pyridin-4-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 133141429
8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-3-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131653506
pyridin-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 3232838
(3S)-3-(cyclopropylmethoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
CID 97476713
3-(pyridin-2-ylmethoxymethyl)-8-(pyridin-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
CID 155833160
2-[[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97370008
(7R)-7-(pyridin-4-ylmethoxy)-2-(1,3-thiazol-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane
CID 124911531
1-methyl-4-(pyridin-4-ylmethyl)-9-(1,3-thiazol-2-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97398782

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(pyridin-4-ylmethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-3-(pyridin-4-ylmethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane (CID 97486150) is (3R)-3-(pyridin-4-ylmethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-(pyridin-4-ylmethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-3-(pyridin-4-ylmethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane is c1cc(COC[C@H]2CC3(CCN(Cc4nccs4)CC3)CO2)ccn1.
What is the InChIKey of (3R)-3-(pyridin-4-ylmethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is OXCBBMJEZCGOKJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-5-20-6-2-16(1)13-23-14-17-11-19(15-24-17)3-8-22(9-4-19)12-18-21-7-10-25-18/h1-2,5-7,10,17H,3-4,8-9,11-15H2/t17-/m1/s1.
What are the key properties of (3R)-3-(pyridin-4-ylmethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
(3R)-3-(pyridin-4-ylmethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 359.50 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(pyridin-4-ylmethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97486150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).