(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

C19H24N2O4S — CID 124809590

IUPAC(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
SMILESCc1nc(COCC[C@@H]2CCOC23CN(C(=O)c2occc2C)C3)cs1
InChIInChI=1S/C19H24N2O4S/c1-13-3-7-24-17(13)18(22)21-11-19(12-21)15(5-8-25-19)4-6-23-9-16-10-26-14(2)20-16/h3,7,10,15H,4-6,8-9,11-12H2,1-2H3/t15-/m1/s1
InChIKeyLPPADANJGGGSTR-OAHLLOKOSA-N
MW376.48 g/mol
LogP3.19
Rot. Bonds6

About (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

(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 (PubChem CID 124809590) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID124809590
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name(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
SMILESCc1nc(COCC[C@@H]2CCOC23CN(C(=O)c2occc2C)C3)cs1
InChIInChI=1S/C19H24N2O4S/c1-13-3-7-24-17(13)18(22)21-11-19(12-21)15(5-8-25-19)4-6-23-9-16-10-26-14(2)20-16/h3,7,10,15H,4-6,8-9,11-12H2,1-2H3/t15-/m1/s1
InChIKeyLPPADANJGGGSTR-OAHLLOKOSA-N
XLogP3.19
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (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 with MolForge

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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
[(3R,3aR,6aR)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(3-methylfuran-2-yl)methanone
CID 124893498
(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
(3-methylfuran-2-yl)-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131669328
[4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone
CID 131641705
(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)-[(7S)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124893632
(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-methylfuran-2-yl)-[(8R)-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124912988
(3-methylfuran-2-yl)-[7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 133140267
(4-methylphenyl)-[(8S)-8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124822248
(6-methyl-2-pyridinyl)-[(8S)-8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124811684

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1nc(COCC[C@@H]2CCOC23CN(C(=O)c2occc2C)C3)cs1.
What is the InChIKey of (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?
The InChIKey is LPPADANJGGGSTR-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-13-3-7-24-17(13)18(22)21-11-19(12-21)15(5-8-25-19)4-6-23-9-16-10-26-14(2)20-16/h3,7,10,15H,4-6,8-9,11-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 376.48 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 124809590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).