[(3R,5R,9R)-3-(3-fluorophenyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-oxazol-4-yl)methanone

C18H19FN2O4 — CID 155996736

IUPAC[(3R,5R,9R)-3-(3-fluorophenyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-oxazol-4-yl)methanone
SMILESCO[C@@H]1CN(C(=O)c2cocn2)C[C@]12C[C@H](c1cccc(F)c1)CO2
InChIInChI=1S/C18H19FN2O4/c1-23-16-7-21(17(22)15-9-24-11-20-15)10-18(16)6-13(8-25-18)12-3-2-4-14(19)5-12/h2-5,9,11,13,16H,6-8,10H2,1H3/t13-,16+,18+/m0/s1
InChIKeyYWRUYNFZEDZRAW-FDQGKXFDSA-N
MW346.36 g/mol
LogP2.23
Rot. Bonds3

About [(3R,5R,9R)-3-(3-fluorophenyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-oxazol-4-yl)methanone

[(3R,5R,9R)-3-(3-fluorophenyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-oxazol-4-yl)methanone (PubChem CID 155996736) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is [(3R,5R,9R)-3-(3-fluorophenyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R,5R,9R)-3-(3-fluorophenyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-oxazol-4-yl)methanone
PubChem CID155996736
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Name[(3R,5R,9R)-3-(3-fluorophenyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-oxazol-4-yl)methanone
SMILESCO[C@@H]1CN(C(=O)c2cocn2)C[C@]12C[C@H](c1cccc(F)c1)CO2
InChIInChI=1S/C18H19FN2O4/c1-23-16-7-21(17(22)15-9-24-11-20-15)10-18(16)6-13(8-25-18)12-3-2-4-14(19)5-12/h2-5,9,11,13,16H,6-8,10H2,1H3/t13-,16+,18+/m0/s1
InChIKeyYWRUYNFZEDZRAW-FDQGKXFDSA-N
XLogP2.23
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R,5R,9R)-3-(3-fluorophenyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-oxazol-4-yl)methanone with MolForge

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Related Compounds

[(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone
CID 155996789
1-[(3R,5R,9R)-3-(3-fluorophenyl)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3-(furan-2-yl)propan-1-one
CID 155996721
(3S,5R,9R)-3-(3-fluorophenyl)-7-[(4-hydroxyoxan-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol
CID 155996853
[7-[2-[(3-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 154582274
1,3-oxazol-4-yl-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97484872
methyl 4-(3-fluorophenyl)-1-methylpyrrolidine-3-carboxylate
CID 102568183
(3-fluorophenyl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124967902
(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3S,5R,9R)-9-hydroxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 155996778
2-[4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methoxypyrimidin-5-amine
CID 146388285
(5-methylpyrazin-2-yl)-(3-phenyl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 134078916
[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 110159351
1,3-oxazol-4-yl-[(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124794656

Frequently Asked Questions

What is the IUPAC name of [(3R,5R,9R)-3-(3-fluorophenyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-oxazol-4-yl)methanone?
The IUPAC name of [(3R,5R,9R)-3-(3-fluorophenyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-oxazol-4-yl)methanone (CID 155996736) is [(3R,5R,9R)-3-(3-fluorophenyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [(3R,5R,9R)-3-(3-fluorophenyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-oxazol-4-yl)methanone?
The canonical SMILES for [(3R,5R,9R)-3-(3-fluorophenyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-oxazol-4-yl)methanone is CO[C@@H]1CN(C(=O)c2cocn2)C[C@]12C[C@H](c1cccc(F)c1)CO2.
What is the InChIKey of [(3R,5R,9R)-3-(3-fluorophenyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-oxazol-4-yl)methanone?
The InChIKey is YWRUYNFZEDZRAW-FDQGKXFDSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-23-16-7-21(17(22)15-9-24-11-20-15)10-18(16)6-13(8-25-18)12-3-2-4-14(19)5-12/h2-5,9,11,13,16H,6-8,10H2,1H3/t13-,16+,18+/m0/s1.
What are the key properties of [(3R,5R,9R)-3-(3-fluorophenyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-oxazol-4-yl)methanone?
[(3R,5R,9R)-3-(3-fluorophenyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-oxazol-4-yl)methanone has a molecular weight of 346.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R,9R)-3-(3-fluorophenyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 155996736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).