[(3R,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone

C16H24N4O2 — CID 97395594

IUPAC[(3R,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCC[C@]2(C[C@@H](n3ccnc3)CO2)C1
InChIInChI=1S/C16H24N4O2/c21-15(18-6-1-2-7-18)19-8-3-4-16(12-19)10-14(11-22-16)20-9-5-17-13-20/h5,9,13-14H,1-4,6-8,10-12H2/t14-,16+/m1/s1
InChIKeyALABZIVCALRDNJ-ZBFHGGJFSA-N
MW304.39 g/mol
LogP1.89
Rot. Bonds1

About [(3R,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone

[(3R,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97395594) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is [(3R,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
PubChem CID97395594
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name[(3R,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCC[C@]2(C[C@@H](n3ccnc3)CO2)C1
InChIInChI=1S/C16H24N4O2/c21-15(18-6-1-2-7-18)19-8-3-4-16(12-19)10-14(11-22-16)20-9-5-17-13-20/h5,9,13-14H,1-4,6-8,10-12H2/t14-,16+/m1/s1
InChIKeyALABZIVCALRDNJ-ZBFHGGJFSA-N
XLogP1.89
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3R,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone (CID 97395594) is [(3R,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3R,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3R,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1CCC[C@]2(C[C@@H](n3ccnc3)CO2)C1.
What is the InChIKey of [(3R,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ALABZIVCALRDNJ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-15(18-6-1-2-7-18)19-8-3-4-16(12-19)10-14(11-22-16)20-9-5-17-13-20/h5,9,13-14H,1-4,6-8,10-12H2/t14-,16+/m1/s1.
What are the key properties of [(3R,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone?
[(3R,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 304.39 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97395594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).