2-[(2-methoxy-3-pyridinyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane

C19H25N3O3S — CID 131656569

IUPAC2-[(2-methoxy-3-pyridinyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane
SMILESCOc1ncccc1CN1CC2(CC(OCc3csc(C)n3)CCO2)C1
InChIInChI=1S/C19H25N3O3S/c1-14-21-16(11-26-14)10-24-17-5-7-25-19(8-17)12-22(13-19)9-15-4-3-6-20-18(15)23-2/h3-4,6,11,17H,5,7-10,12-13H2,1-2H3
InChIKeyCTSVZYOZMRNBDU-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.81
Rot. Bonds6

About 2-[(2-methoxy-3-pyridinyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane

2-[(2-methoxy-3-pyridinyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 131656569) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-[(2-methoxy-3-pyridinyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[(2-methoxy-3-pyridinyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane
PubChem CID131656569
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name2-[(2-methoxy-3-pyridinyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane
SMILESCOc1ncccc1CN1CC2(CC(OCc3csc(C)n3)CCO2)C1
InChIInChI=1S/C19H25N3O3S/c1-14-21-16(11-26-14)10-24-17-5-7-25-19(8-17)12-22(13-19)9-15-4-3-6-20-18(15)23-2/h3-4,6,11,17H,5,7-10,12-13H2,1-2H3
InChIKeyCTSVZYOZMRNBDU-UHFFFAOYSA-N
XLogP2.81
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2-methoxy-3-pyridinyl)methyl]-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane
CID 131677779
(8S)-2-[(2-methylphenyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane
CID 124819367
8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 131661620
2-[(2-methoxy-3-pyridinyl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane
CID 133137575
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane
CID 133137709
(2-methyl-1,3-thiazol-4-yl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124811768
8-(2-methoxyethyl)-2-[(2-methoxy-3-pyridinyl)methyl]-5-oxa-2-azaspiro[3.5]nonane
CID 131651440
(8R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124805402
(8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124797928
(3-methylphenyl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692625
(5-methyl-2-pyridinyl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124913592
8-(pyridin-3-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 131638400

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-3-pyridinyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-[(2-methoxy-3-pyridinyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane (CID 131656569) is 2-[(2-methoxy-3-pyridinyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-[(2-methoxy-3-pyridinyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-[(2-methoxy-3-pyridinyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane is COc1ncccc1CN1CC2(CC(OCc3csc(C)n3)CCO2)C1.
What is the InChIKey of 2-[(2-methoxy-3-pyridinyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is CTSVZYOZMRNBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14-21-16(11-26-14)10-24-17-5-7-25-19(8-17)12-22(13-19)9-15-4-3-6-20-18(15)23-2/h3-4,6,11,17H,5,7-10,12-13H2,1-2H3.
What are the key properties of 2-[(2-methoxy-3-pyridinyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane?
2-[(2-methoxy-3-pyridinyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 375.49 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-3-pyridinyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 131656569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).