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

C18H25N3O3S — CID 133137709

IUPAC2-[(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
SMILESCc1nc(COC2CCOC3(C2)CN(Cc2c(C)noc2C)C3)cs1
InChIInChI=1S/C18H25N3O3S/c1-12-17(13(2)24-20-12)7-21-10-18(11-21)6-16(4-5-23-18)22-8-15-9-25-14(3)19-15/h9,16H,4-8,10-11H2,1-3H3
InChIKeyXHBSRQHXUKNMKG-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.01
Rot. Bonds5

About 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

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 (PubChem CID 133137709) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID133137709
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name2-[(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
SMILESCc1nc(COC2CCOC3(C2)CN(Cc2c(C)noc2C)C3)cs1
InChIInChI=1S/C18H25N3O3S/c1-12-17(13(2)24-20-12)7-21-10-18(11-21)6-16(4-5-23-18)22-8-15-9-25-14(3)19-15/h9,16H,4-8,10-11H2,1-3H3
InChIKeyXHBSRQHXUKNMKG-UHFFFAOYSA-N
XLogP3.01
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 133137346
(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-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane
CID 131656569
(5-methyl-1,2-oxazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131640943
(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
4-methyl-1-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one
CID 131692866
(3-methylphenyl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692625
(1-methylpyrazol-3-yl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124813593
(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
(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
(8S)-8-[(5-methyl-3-pyridinyl)methoxy]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124913797

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(COC2CCOC3(C2)CN(Cc2c(C)noc2C)C3)cs1.
What is the InChIKey of 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?
The InChIKey is XHBSRQHXUKNMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-12-17(13(2)24-20-12)7-21-10-18(11-21)6-16(4-5-23-18)22-8-15-9-25-14(3)19-15/h9,16H,4-8,10-11H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 363.48 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 133137709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).