actinium;[(5R)-3-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide

C16H21AcFN3O4- — CID 86577446

IUPACactinium;[(5R)-3-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
SMILES[Ac].[NH-]C[C@@H]1CN(c2ccc(OCC(O)CNC3CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H21FN3O4.Ac/c17-14-5-11(20-8-13(6-18)24-16(20)22)3-4-15(14)23-9-12(21)7-19-10-1-2-10;/h3-5,10,12-13,18-19,21H,1-2,6-9H2;/q-1;/t12?,13-;/m1./s1
InChIKeyHXCOHASQYRJKTP-MGWDBEAMSA-N
MW565.36 g/mol
LogP1.69
Rot. Bonds8

About actinium;[(5R)-3-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide

actinium;[(5R)-3-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide (PubChem CID 86577446) has the molecular formula C16H21AcFN3O4- and a molecular weight of 565.36 g/mol. Its IUPAC name is actinium;[(5R)-3-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide.

Molecular Properties

Compound Nameactinium;[(5R)-3-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
PubChem CID86577446
Molecular FormulaC16H21AcFN3O4-
Molecular Weight565.36 g/mol
Exact Mass565.18
IUPAC Nameactinium;[(5R)-3-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
SMILES[Ac].[NH-]C[C@@H]1CN(c2ccc(OCC(O)CNC3CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H21FN3O4.Ac/c17-14-5-11(20-8-13(6-18)24-16(20)22)3-4-15(14)23-9-12(21)7-19-10-1-2-10;/h3-5,10,12-13,18-19,21H,1-2,6-9H2;/q-1;/t12?,13-;/m1./s1
InChIKeyHXCOHASQYRJKTP-MGWDBEAMSA-N
XLogP1.69
TPSA94.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-hydroxy-3-(pyridin-2-ylamino)propoxy]phenyl]-1,3-oxazolidin-2-one
CID 86577398
4-[[3-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]-2-hydroxypropyl]amino]benzonitrile
CID 86577352
actinium;[(5S)-3-[3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
CID 59043587
(5R)-3-[3-fluoro-4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 142699895
actinium;[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
CID 59043670
(5R)-5-(chloromethyl)-3-[3-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]phenyl]-1,3-oxazolidin-2-one
CID 121356776
(5R)-3-[3-fluoro-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 171347706
(5R)-3-[3-fluoro-4-[(3-hydroxypyrrolidin-3-yl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 66776176
ethyl 3-[3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylpropanoate
CID 123210106
(5R)-5-(aminomethyl)-3-[3-fluoro-4-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]-1,3-oxazolidin-2-one
CID 86577499
actinium;[(5S)-3-[3-fluoro-4-(quinolin-3-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
CID 59043598
[(5S)-3-[4-[4-(dimethylamino)butoxy]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylthiourea
CID 139799526

Frequently Asked Questions

What is the IUPAC name of actinium;[(5R)-3-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide?
The IUPAC name of actinium;[(5R)-3-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide (CID 86577446) is actinium;[(5R)-3-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide.
What is the SMILES notation for actinium;[(5R)-3-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide?
The canonical SMILES for actinium;[(5R)-3-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide is [Ac].[NH-]C[C@@H]1CN(c2ccc(OCC(O)CNC3CC3)c(F)c2)C(=O)O1.
What is the InChIKey of actinium;[(5R)-3-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide?
The InChIKey is HXCOHASQYRJKTP-MGWDBEAMSA-N. The full InChI is InChI=1S/C16H21FN3O4.Ac/c17-14-5-11(20-8-13(6-18)24-16(20)22)3-4-15(14)23-9-12(21)7-19-10-1-2-10;/h3-5,10,12-13,18-19,21H,1-2,6-9H2;/q-1;/t12?,13-;/m1./s1.
What are the key properties of actinium;[(5R)-3-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide?
actinium;[(5R)-3-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide has a molecular weight of 565.36 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[(5R)-3-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide is sourced from PubChem (CID 86577446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).