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

C17H22N4O3S — CID 124806625

IUPAC(2-methylpyrazol-3-yl)-[(8R)-8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCc1nc(COC[C@H]2CCOC23CN(C(=O)c2ccnn2C)C3)cs1
InChIInChI=1S/C17H22N4O3S/c1-12-19-14(9-25-12)8-23-7-13-4-6-24-17(13)10-21(11-17)16(22)15-3-5-18-20(15)2/h3,5,9,13H,4,6-8,10-11H2,1-2H3/t13-/m1/s1
InChIKeyBFYSUUPXKVBQJY-CYBMUJFWSA-N
MW362.46 g/mol
LogP1.63
Rot. Bonds5

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

(2-methylpyrazol-3-yl)-[(8R)-8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 124806625) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[(8R)-8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[(8R)-8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
PubChem CID124806625
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name(2-methylpyrazol-3-yl)-[(8R)-8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCc1nc(COC[C@H]2CCOC23CN(C(=O)c2ccnn2C)C3)cs1
InChIInChI=1S/C17H22N4O3S/c1-12-19-14(9-25-12)8-23-7-13-4-6-24-17(13)10-21(11-17)16(22)15-3-5-18-20(15)2/h3,5,9,13H,4,6-8,10-11H2,1-2H3/t13-/m1/s1
InChIKeyBFYSUUPXKVBQJY-CYBMUJFWSA-N
XLogP1.63
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(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
(2-methyl-1,3-thiazol-4-yl)-[8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131658059
(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
[8-[(6-methyl-2-pyridinyl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone
CID 131654987
(2-methylpyrazol-3-yl)-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 133143459
(5-methyl-1,2-oxazol-3-yl)-[(8R)-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124893169
(4-methyl-1,3-oxazol-5-yl)-[(8S)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124812733
(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)-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
(3,5-difluorophenyl)-[(8S)-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124800651
(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

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[(8R)-8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of (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) is (2-methylpyrazol-3-yl)-[(8R)-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 (2-methylpyrazol-3-yl)-[(8R)-8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[(8R)-8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone is Cc1nc(COC[C@H]2CCOC23CN(C(=O)c2ccnn2C)C3)cs1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[(8R)-8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The InChIKey is BFYSUUPXKVBQJY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-12-19-14(9-25-12)8-23-7-13-4-6-24-17(13)10-21(11-17)16(22)15-3-5-18-20(15)2/h3,5,9,13H,4,6-8,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (2-methylpyrazol-3-yl)-[(8R)-8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
(2-methylpyrazol-3-yl)-[(8R)-8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 362.46 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[(8R)-8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 124806625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).