(4-methyl-1,3-oxazol-5-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone

C17H21N3O4S — CID 131646234

IUPAC(4-methyl-1,3-oxazol-5-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCc1nc(COCC2CCOC23CN(C(=O)c2ocnc2C)C3)cs1
InChIInChI=1S/C17H21N3O4S/c1-11-15(23-10-18-11)16(21)20-8-17(9-20)13(3-4-24-17)5-22-6-14-7-25-12(2)19-14/h7,10,13H,3-6,8-9H2,1-2H3
InChIKeyYTJWNGBOFMOSFO-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.20
Rot. Bonds5

About (4-methyl-1,3-oxazol-5-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone

(4-methyl-1,3-oxazol-5-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 131646234) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is (4-methyl-1,3-oxazol-5-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-oxazol-5-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
PubChem CID131646234
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name(4-methyl-1,3-oxazol-5-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCc1nc(COCC2CCOC23CN(C(=O)c2ocnc2C)C3)cs1
InChIInChI=1S/C17H21N3O4S/c1-11-15(23-10-18-11)16(21)20-8-17(9-20)13(3-4-24-17)5-22-6-14-7-25-12(2)19-14/h7,10,13H,3-6,8-9H2,1-2H3
InChIKeyYTJWNGBOFMOSFO-UHFFFAOYSA-N
XLogP2.20
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-methyl-1,3-oxazol-5-yl)-[(8S)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124812733
(2-methylpyrazol-3-yl)-[(8R)-8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124806625
(4-methyl-1,3-oxazol-5-yl)-[8-[2-[(6-methyl-2-pyridinyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131657002
(3-methylfuran-2-yl)-[(8R)-8-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124809590
(4S,5S)-N,N-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97451839
(2-methyl-1,3-thiazol-4-yl)-[8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131658059
[8-[(6-methyl-2-pyridinyl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone
CID 131654987
(8S)-2-(5-fluoropyrimidin-2-yl)-8-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124810972
(4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 124810784
(3-methyl-1,2-oxazol-5-yl)-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124912995
[(8S)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124809833
[(4S,5S)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 131683793

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-oxazol-5-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of (4-methyl-1,3-oxazol-5-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone (CID 131646234) is (4-methyl-1,3-oxazol-5-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-oxazol-5-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for (4-methyl-1,3-oxazol-5-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone is Cc1nc(COCC2CCOC23CN(C(=O)c2ocnc2C)C3)cs1.
What is the InChIKey of (4-methyl-1,3-oxazol-5-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The InChIKey is YTJWNGBOFMOSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-11-15(23-10-18-11)16(21)20-8-17(9-20)13(3-4-24-17)5-22-6-14-7-25-12(2)19-14/h7,10,13H,3-6,8-9H2,1-2H3.
What are the key properties of (4-methyl-1,3-oxazol-5-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
(4-methyl-1,3-oxazol-5-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 363.44 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-oxazol-5-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 131646234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).