2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane

C19H25N3O3 — CID 133137346

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1noc(C)c1CN1CC2(CC(OCc3ccccn3)CCO2)C1
InChIInChI=1S/C19H25N3O3/c1-14-18(15(2)25-21-14)10-22-12-19(13-22)9-17(6-8-24-19)23-11-16-5-3-4-7-20-16/h3-5,7,17H,6,8-13H2,1-2H3
InChIKeySSIKEGQXUWFUSD-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.64
Rot. Bonds5

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 133137346) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
PubChem CID133137346
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1noc(C)c1CN1CC2(CC(OCc3ccccn3)CCO2)C1
InChIInChI=1S/C19H25N3O3/c1-14-18(15(2)25-21-14)10-22-12-19(13-22)9-17(6-8-24-19)23-11-16-5-3-4-7-20-16/h3-5,7,17H,6,8-13H2,1-2H3
InChIKeySSIKEGQXUWFUSD-UHFFFAOYSA-N
XLogP2.64
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane with MolForge

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Related Compounds

(8R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124835395
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
(8R)-8-methoxy-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124802664
(3-methyl-1,2-oxazol-5-yl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131650035
8-(pyridin-3-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 131638400
2-(oxan-4-yl)-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 131648833
(4-methylphenyl)-[(8R)-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124821748
4-[[(3aS,6aR)-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97452960
2-(4-methylphenyl)-1-[(8R)-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124794996
(2,6-dimethyl-4-pyridinyl)-[(8S)-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124797141
(4-methyl-2-pyridinyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 133136934
2-[(2-methoxy-3-pyridinyl)methyl]-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane
CID 131677779

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane (CID 133137346) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane is Cc1noc(C)c1CN1CC2(CC(OCc3ccccn3)CCO2)C1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is SSIKEGQXUWFUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-18(15(2)25-21-14)10-22-12-19(13-22)9-17(6-8-24-19)23-11-16-5-3-4-7-20-16/h3-5,7,17H,6,8-13H2,1-2H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 343.43 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 133137346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).