[(3R,5R)-3-(4-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone

C19H22ClN3O3 — CID 110141979

IUPAC[(3R,5R)-3-(4-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)N1CCC[C@@]2(C[C@@H](Oc3ccc(Cl)cc3)CO2)C1
InChIInChI=1S/C19H22ClN3O3/c1-22-10-8-21-17(22)18(24)23-9-2-7-19(13-23)11-16(12-25-19)26-15-5-3-14(20)4-6-15/h3-6,8,10,16H,2,7,9,11-13H2,1H3/t16-,19-/m1/s1
InChIKeyJLVUORRVHHQJIG-VQIMIIECSA-N
MW375.86 g/mol
LogP2.92
Rot. Bonds3

About [(3R,5R)-3-(4-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone

[(3R,5R)-3-(4-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 110141979) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is [(3R,5R)-3-(4-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[(3R,5R)-3-(4-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID110141979
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name[(3R,5R)-3-(4-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)N1CCC[C@@]2(C[C@@H](Oc3ccc(Cl)cc3)CO2)C1
InChIInChI=1S/C19H22ClN3O3/c1-22-10-8-21-17(22)18(24)23-9-2-7-19(13-23)11-16(12-25-19)26-15-5-3-14(20)4-6-15/h3-6,8,10,16H,2,7,9,11-13H2,1H3/t16-,19-/m1/s1
InChIKeyJLVUORRVHHQJIG-VQIMIIECSA-N
XLogP2.92
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3-(4-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [(3R,5R)-3-(4-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone (CID 110141979) is [(3R,5R)-3-(4-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [(3R,5R)-3-(4-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [(3R,5R)-3-(4-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)N1CCC[C@@]2(C[C@@H](Oc3ccc(Cl)cc3)CO2)C1.
What is the InChIKey of [(3R,5R)-3-(4-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is JLVUORRVHHQJIG-VQIMIIECSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-22-10-8-21-17(22)18(24)23-9-2-7-19(13-23)11-16(12-25-19)26-15-5-3-14(20)4-6-15/h3-6,8,10,16H,2,7,9,11-13H2,1H3/t16-,19-/m1/s1.
What are the key properties of [(3R,5R)-3-(4-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone?
[(3R,5R)-3-(4-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 375.86 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3-(4-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 110141979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).