[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone

C15H22N2O4 — CID 110156692

IUPAC[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCc1onc(C(C)C)c1C(=O)N1C[C@H](O)[C@]2(CCCO2)C1
InChIInChI=1S/C15H22N2O4/c1-9(2)13-12(10(3)21-16-13)14(19)17-7-11(18)15(8-17)5-4-6-20-15/h9,11,18H,4-8H2,1-3H3/t11-,15-/m0/s1
InChIKeyDPXVYCFMUOCKGN-NHYWBVRUSA-N
MW294.35 g/mol
LogP1.47
Rot. Bonds2

About [(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone

[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone (PubChem CID 110156692) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is [(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
PubChem CID110156692
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCc1onc(C(C)C)c1C(=O)N1C[C@H](O)[C@]2(CCCO2)C1
InChIInChI=1S/C15H22N2O4/c1-9(2)13-12(10(3)21-16-13)14(19)17-7-11(18)15(8-17)5-4-6-20-15/h9,11,18H,4-8H2,1-3H3/t11-,15-/m0/s1
InChIKeyDPXVYCFMUOCKGN-NHYWBVRUSA-N
XLogP1.47
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone (CID 110156692) is [(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone is Cc1onc(C(C)C)c1C(=O)N1C[C@H](O)[C@]2(CCCO2)C1.
What is the InChIKey of [(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone?
The InChIKey is DPXVYCFMUOCKGN-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-9(2)13-12(10(3)21-16-13)14(19)17-7-11(18)15(8-17)5-4-6-20-15/h9,11,18H,4-8H2,1-3H3/t11-,15-/m0/s1.
What are the key properties of [(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone?
[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone has a molecular weight of 294.35 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 110156692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).