[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone

C17H26N2O4 — CID 97454136

IUPAC[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
SMILESCO[C@H]1CCCOC12CCN(C(=O)c1cc(C(C)C)on1)CC2
InChIInChI=1S/C17H26N2O4/c1-12(2)14-11-13(18-23-14)16(20)19-8-6-17(7-9-19)15(21-3)5-4-10-22-17/h11-12,15H,4-10H2,1-3H3/t15-/m0/s1
InChIKeyOYPCPGMMQHFABR-HNNXBMFYSA-N
MW322.40 g/mol
LogP2.60
Rot. Bonds3

About [(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone

[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 97454136) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is [(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID97454136
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
SMILESCO[C@H]1CCCOC12CCN(C(=O)c1cc(C(C)C)on1)CC2
InChIInChI=1S/C17H26N2O4/c1-12(2)14-11-13(18-23-14)16(20)19-8-6-17(7-9-19)15(21-3)5-4-10-22-17/h11-12,15H,4-10H2,1-3H3/t15-/m0/s1
InChIKeyOYPCPGMMQHFABR-HNNXBMFYSA-N
XLogP2.60
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylimidazol-4-yl)methanone
CID 124969063
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97198788
(3-fluorophenyl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124967902
(2,4-dimethylpyrimidin-5-yl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124965745
[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 110156464
1,3-benzodioxol-5-yl-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97186942
(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(4-methylpyrimidin-5-yl)methanone
CID 74240903
(4-propan-2-ylazepan-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 119043032
piperidin-1-yl-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanone
CID 119043229
(1-ethyl-5-methylpyrazol-4-yl)-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 74239484
(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 74244805
2-[[(2R)-oxolan-2-yl]methyl]-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97196956

Frequently Asked Questions

What is the IUPAC name of [(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone (CID 97454136) is [(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone is CO[C@H]1CCCOC12CCN(C(=O)c1cc(C(C)C)on1)CC2.
What is the InChIKey of [(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is OYPCPGMMQHFABR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-12(2)14-11-13(18-23-14)16(20)19-8-6-17(7-9-19)15(21-3)5-4-10-22-17/h11-12,15H,4-10H2,1-3H3/t15-/m0/s1.
What are the key properties of [(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 322.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 97454136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).