actinium;[3-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide

C17H19AcFN5O4- — CID 18713333

IUPACactinium;[3-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
SMILES[Ac].[NH-]CC1CN(c2ccc(N3CCC4(CC3)NC(=O)NC4=O)c(F)c2)C(=O)O1
InChIInChI=1S/C17H19FN5O4.Ac/c18-12-7-10(23-9-11(8-19)27-16(23)26)1-2-13(12)22-5-3-17(4-6-22)14(24)20-15(25)21-17;/h1-2,7,11,19H,3-6,8-9H2,(H2,20,21,24,25);/q-1;
InChIKeyXZOFRNFOZBGWQS-UHFFFAOYSA-N
MW603.37 g/mol
LogP1.38
Rot. Bonds3

About actinium;[3-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide

actinium;[3-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide (PubChem CID 18713333) has the molecular formula C17H19AcFN5O4- and a molecular weight of 603.37 g/mol. Its IUPAC name is actinium;[3-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide.

Molecular Properties

Compound Nameactinium;[3-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
PubChem CID18713333
Molecular FormulaC17H19AcFN5O4-
Molecular Weight603.37 g/mol
Exact Mass603.17
IUPAC Nameactinium;[3-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
SMILES[Ac].[NH-]CC1CN(c2ccc(N3CCC4(CC3)NC(=O)NC4=O)c(F)c2)C(=O)O1
InChIInChI=1S/C17H19FN5O4.Ac/c18-12-7-10(23-9-11(8-19)27-16(23)26)1-2-13(12)22-5-3-17(4-6-22)14(24)20-15(25)21-17;/h1-2,7,11,19H,3-6,8-9H2,(H2,20,21,24,25);/q-1;
InChIKeyXZOFRNFOZBGWQS-UHFFFAOYSA-N
XLogP1.38
TPSA114.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500603.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 68676117
5-(aminomethyl)-3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 22509418
[3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfinate
CID 143058308
(5R)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 10179280
3-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 68698798
(5S)-5-(aminomethyl)-3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one;formaldehyde
CID 91132691
3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 91473746
3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 54334011
(5S)-5-ethyl-3-[3-fluoro-4-(4-isocyanopiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 91016605
(5R)-3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 10566736
3-[3-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 22943616
(5R)-3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 101167179

Frequently Asked Questions

What is the IUPAC name of actinium;[3-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide?
The IUPAC name of actinium;[3-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide (CID 18713333) is actinium;[3-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide.
What is the SMILES notation for actinium;[3-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide?
The canonical SMILES for actinium;[3-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide is [Ac].[NH-]CC1CN(c2ccc(N3CCC4(CC3)NC(=O)NC4=O)c(F)c2)C(=O)O1.
What is the InChIKey of actinium;[3-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide?
The InChIKey is XZOFRNFOZBGWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN5O4.Ac/c18-12-7-10(23-9-11(8-19)27-16(23)26)1-2-13(12)22-5-3-17(4-6-22)14(24)20-15(25)21-17;/h1-2,7,11,19H,3-6,8-9H2,(H2,20,21,24,25);/q-1;.
What are the key properties of actinium;[3-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide?
actinium;[3-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide has a molecular weight of 603.37 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[3-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide is sourced from PubChem (CID 18713333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).