1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-2-hydroxyethanone

C14H19FN4O3 — CID 118743025

IUPAC1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCOC2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C14H19FN4O3/c15-11-6-16-13(17-7-11)19-3-1-2-14(10-19)9-18(4-5-22-14)12(21)8-20/h6-7,20H,1-5,8-10H2
InChIKeyMLPDNILSMCUUTI-UHFFFAOYSA-N
MW310.33 g/mol
LogP-0.19
Rot. Bonds2

About 1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-2-hydroxyethanone

1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-2-hydroxyethanone (PubChem CID 118743025) has the molecular formula C14H19FN4O3 and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-2-hydroxyethanone
PubChem CID118743025
Molecular FormulaC14H19FN4O3
Molecular Weight310.33 g/mol
Exact Mass310.14
IUPAC Name1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCOC2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C14H19FN4O3/c15-11-6-16-13(17-7-11)19-3-1-2-14(10-19)9-18(4-5-22-14)12(21)8-20/h6-7,20H,1-5,8-10H2
InChIKeyMLPDNILSMCUUTI-UHFFFAOYSA-N
XLogP-0.19
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-2-hydroxyethanone?
The IUPAC name of 1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-2-hydroxyethanone (CID 118743025) is 1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-2-hydroxyethanone is O=C(CO)N1CCOC2(CCCN(c3ncc(F)cn3)C2)C1.
What is the InChIKey of 1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-2-hydroxyethanone?
The InChIKey is MLPDNILSMCUUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O3/c15-11-6-16-13(17-7-11)19-3-1-2-14(10-19)9-18(4-5-22-14)12(21)8-20/h6-7,20H,1-5,8-10H2.
What are the key properties of 1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-2-hydroxyethanone?
1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-2-hydroxyethanone has a molecular weight of 310.33 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-2-hydroxyethanone is sourced from PubChem (CID 118743025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).