(3,5-dimethyl-1,2-oxazol-4-yl)-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone

C21H25FN2O4 — CID 154582309

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CC2(CC(CCOCc3ccccc3F)CO2)C1
InChIInChI=1S/C21H25FN2O4/c1-14-19(15(2)28-23-14)20(25)24-12-21(13-24)9-16(10-27-21)7-8-26-11-17-5-3-4-6-18(17)22/h3-6,16H,7-13H2,1-2H3
InChIKeySOINCMBYFMOFIO-UHFFFAOYSA-N
MW388.44 g/mol
LogP3.27
Rot. Bonds6

About (3,5-dimethyl-1,2-oxazol-4-yl)-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 154582309) has the molecular formula C21H25FN2O4 and a molecular weight of 388.44 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
PubChem CID154582309
Molecular FormulaC21H25FN2O4
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CC2(CC(CCOCc3ccccc3F)CO2)C1
InChIInChI=1S/C21H25FN2O4/c1-14-19(15(2)28-23-14)20(25)24-12-21(13-24)9-16(10-27-21)7-8-26-11-17-5-3-4-6-18(17)22/h3-6,16H,7-13H2,1-2H3
InChIKeySOINCMBYFMOFIO-UHFFFAOYSA-N
XLogP3.27
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[2-[(2-fluorophenyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane
CID 155881267
1-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(1H-indol-3-yl)ethanone
CID 154582269
7-[2-[(2-fluorophenyl)methoxy]ethyl]-2-[(5-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octane
CID 155880612
(3,5-dimethyl-1,2-oxazol-4-yl)-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124835616
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97395135
[7-[2-[(3-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 154582274
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97494034
(3,5-dimethyl-1,2-oxazol-4-yl)-[(7S)-7-[(pyrimidin-2-ylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124834860
(1,5-dimethylpyrazol-4-yl)-[7-[2-[(3-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 146074059
1-[(2S)-2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 92632425
1-[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110252795
[7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone
CID 154579335

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone (CID 154582309) is (3,5-dimethyl-1,2-oxazol-4-yl)-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone is Cc1noc(C)c1C(=O)N1CC2(CC(CCOCc3ccccc3F)CO2)C1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The InChIKey is SOINCMBYFMOFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4/c1-14-19(15(2)28-23-14)20(25)24-12-21(13-24)9-16(10-27-21)7-8-26-11-17-5-3-4-6-18(17)22/h3-6,16H,7-13H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 388.44 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 154582309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).