oxolan-3-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone

C17H24N4O3 — CID 118745076

IUPACoxolan-3-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(C1CCOC1)N1CCC2(CC1)CN(c1ncccn1)CCO2
InChIInChI=1S/C17H24N4O3/c22-15(14-2-10-23-12-14)20-7-3-17(4-8-20)13-21(9-11-24-17)16-18-5-1-6-19-16/h1,5-6,14H,2-4,7-13H2
InChIKeyZKNVCZMDBHYOOE-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.71
Rot. Bonds2

About oxolan-3-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone

oxolan-3-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone (PubChem CID 118745076) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is oxolan-3-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Nameoxolan-3-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
PubChem CID118745076
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Nameoxolan-3-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(C1CCOC1)N1CCC2(CC1)CN(c1ncccn1)CCO2
InChIInChI=1S/C17H24N4O3/c22-15(14-2-10-23-12-14)20-7-3-17(4-8-20)13-21(9-11-24-17)16-18-5-1-6-19-16/h1,5-6,14H,2-4,7-13H2
InChIKeyZKNVCZMDBHYOOE-UHFFFAOYSA-N
XLogP0.71
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of oxolan-3-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone (CID 118745076) is oxolan-3-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for oxolan-3-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for oxolan-3-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone is O=C(C1CCOC1)N1CCC2(CC1)CN(c1ncccn1)CCO2.
What is the InChIKey of oxolan-3-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is ZKNVCZMDBHYOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c22-15(14-2-10-23-12-14)20-7-3-17(4-8-20)13-21(9-11-24-17)16-18-5-1-6-19-16/h1,5-6,14H,2-4,7-13H2.
What are the key properties of oxolan-3-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
oxolan-3-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 332.40 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 118745076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).