(5S)-5-hydroxy-N-(2-pyrazol-1-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

C15H24N4O3 — CID 126453764

IUPAC(5S)-5-hydroxy-N-(2-pyrazol-1-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESO=C(NCCn1cccn1)N1CCC2(CC1)OCCC[C@@H]2O
InChIInChI=1S/C15H24N4O3/c20-13-3-1-12-22-15(13)4-9-18(10-5-15)14(21)16-7-11-19-8-2-6-17-19/h2,6,8,13,20H,1,3-5,7,9-12H2,(H,16,21)/t13-/m0/s1
InChIKeyZFFQJXUSMPAESV-ZDUSSCGKSA-N
MW308.38 g/mol
LogP0.60
Rot. Bonds3

About (5S)-5-hydroxy-N-(2-pyrazol-1-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

(5S)-5-hydroxy-N-(2-pyrazol-1-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 126453764) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (5S)-5-hydroxy-N-(2-pyrazol-1-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name(5S)-5-hydroxy-N-(2-pyrazol-1-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID126453764
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name(5S)-5-hydroxy-N-(2-pyrazol-1-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESO=C(NCCn1cccn1)N1CCC2(CC1)OCCC[C@@H]2O
InChIInChI=1S/C15H24N4O3/c20-13-3-1-12-22-15(13)4-9-18(10-5-15)14(21)16-7-11-19-8-2-6-17-19/h2,6,8,13,20H,1,3-5,7,9-12H2,(H,16,21)/t13-/m0/s1
InChIKeyZFFQJXUSMPAESV-ZDUSSCGKSA-N
XLogP0.60
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5S)-5-hydroxy-N-(2-pyrazol-1-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide with MolForge

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Related Compounds

5-hydroxy-N-(2-pyridin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 119066269
1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 61461167
2-cyclopropyl-1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 110159211
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-imidazol-1-ylbutan-1-one
CID 110159573
[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 97189447
1-(2-pyrazol-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62096262
(2-ethoxy-3-pyridinyl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97192067
(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboxamide
CID 129331074
4-(oxolan-3-ylmethyl)-N-(3-pyrazol-1-ylpropyl)piperazine-1-carboxamide
CID 136512774
2-[1-[2-oxo-2-(2-pyrazol-1-ylethylamino)ethyl]cyclohexyl]acetic acid
CID 61459546
2-[1-(aminomethyl)cyclohexyl]-N-(2-pyrazol-1-ylethyl)acetamide
CID 104678011
(3S)-3-acetamido-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 95153240

Frequently Asked Questions

What is the IUPAC name of (5S)-5-hydroxy-N-(2-pyrazol-1-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of (5S)-5-hydroxy-N-(2-pyrazol-1-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 126453764) is (5S)-5-hydroxy-N-(2-pyrazol-1-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for (5S)-5-hydroxy-N-(2-pyrazol-1-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for (5S)-5-hydroxy-N-(2-pyrazol-1-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is O=C(NCCn1cccn1)N1CCC2(CC1)OCCC[C@@H]2O.
What is the InChIKey of (5S)-5-hydroxy-N-(2-pyrazol-1-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is ZFFQJXUSMPAESV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N4O3/c20-13-3-1-12-22-15(13)4-9-18(10-5-15)14(21)16-7-11-19-8-2-6-17-19/h2,6,8,13,20H,1,3-5,7,9-12H2,(H,16,21)/t13-/m0/s1.
What are the key properties of (5S)-5-hydroxy-N-(2-pyrazol-1-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
(5S)-5-hydroxy-N-(2-pyrazol-1-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-hydroxy-N-(2-pyrazol-1-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 126453764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).