[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-propyl-1,2-oxazol-3-yl)methanone

C16H24N2O4 — CID 110156464

IUPAC[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](OC)C2)no1
InChIInChI=1S/C16H24N2O4/c1-3-5-12-10-13(17-22-12)15(19)18-8-7-16(6-4-9-21-16)14(11-18)20-2/h10,14H,3-9,11H2,1-2H3/t14-,16-/m0/s1
InChIKeyFQAQVINBGHNBOY-HOCLYGCPSA-N
MW308.38 g/mol
LogP2.04
Rot. Bonds4

About [(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-propyl-1,2-oxazol-3-yl)methanone

[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-propyl-1,2-oxazol-3-yl)methanone (PubChem CID 110156464) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is [(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-propyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
PubChem CID110156464
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](OC)C2)no1
InChIInChI=1S/C16H24N2O4/c1-3-5-12-10-13(17-22-12)15(19)18-8-7-16(6-4-9-21-16)14(11-18)20-2/h10,14H,3-9,11H2,1-2H3/t14-,16-/m0/s1
InChIKeyFQAQVINBGHNBOY-HOCLYGCPSA-N
XLogP2.04
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-propyl-1,2-oxazol-3-yl)methanone (CID 110156464) is [(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-propyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-propyl-1,2-oxazol-3-yl)methanone is CCCc1cc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](OC)C2)no1.
What is the InChIKey of [(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The InChIKey is FQAQVINBGHNBOY-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-3-5-12-10-13(17-22-12)15(19)18-8-7-16(6-4-9-21-16)14(11-18)20-2/h10,14H,3-9,11H2,1-2H3/t14-,16-/m0/s1.
What are the key properties of [(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-propyl-1,2-oxazol-3-yl)methanone has a molecular weight of 308.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-propyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 110156464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).