(5R)-9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C15H24N4O2 — CID 95869327

IUPAC(5R)-9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCCCc1ncc(CN2CCC[C@@]3(CNC(=O)O3)C2)[nH]1
InChIInChI=1S/C15H24N4O2/c1-2-3-5-13-16-8-12(18-13)9-19-7-4-6-15(11-19)10-17-14(20)21-15/h8H,2-7,9-11H2,1H3,(H,16,18)(H,17,20)/t15-/m1/s1
InChIKeyXQNKSJOVOUXLFT-OAHLLOKOSA-N
MW292.38 g/mol
LogP1.83
Rot. Bonds5

About (5R)-9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

(5R)-9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 95869327) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (5R)-9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R)-9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID95869327
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(5R)-9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCCCc1ncc(CN2CCC[C@@]3(CNC(=O)O3)C2)[nH]1
InChIInChI=1S/C15H24N4O2/c1-2-3-5-13-16-8-12(18-13)9-19-7-4-6-15(11-19)10-17-14(20)21-15/h8H,2-7,9-11H2,1H3,(H,16,18)(H,17,20)/t15-/m1/s1
InChIKeyXQNKSJOVOUXLFT-OAHLLOKOSA-N
XLogP1.83
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5R)-9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 95869327) is (5R)-9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R)-9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5R)-9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CCCCc1ncc(CN2CCC[C@@]3(CNC(=O)O3)C2)[nH]1.
What is the InChIKey of (5R)-9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is XQNKSJOVOUXLFT-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-3-5-13-16-8-12(18-13)9-19-7-4-6-15(11-19)10-17-14(20)21-15/h8H,2-7,9-11H2,1H3,(H,16,18)(H,17,20)/t15-/m1/s1.
What are the key properties of (5R)-9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
(5R)-9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 292.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95869327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).