actinium;[(5S)-3-[3-fluoro-4-(pyridin-3-ylmethoxycarbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide

C17H15AcFN3O4- — CID 59043575

IUPACactinium;[(5S)-3-[3-fluoro-4-(pyridin-3-ylmethoxycarbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
SMILES[Ac].[NH-]C[C@H]1CN(c2ccc(C(=O)OCc3cccnc3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H15FN3O4.Ac/c18-15-6-12(21-9-13(7-19)25-17(21)23)3-4-14(15)16(22)24-10-11-2-1-5-20-8-11;/h1-6,8,13,19H,7,9-10H2;/q-1;/t13-;/m0./s1
InChIKeyHGWSFJBISKYZSL-ZOWNYOTGSA-N
MW571.32 g/mol
LogP2.96
Rot. Bonds5

About actinium;[(5S)-3-[3-fluoro-4-(pyridin-3-ylmethoxycarbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide

actinium;[(5S)-3-[3-fluoro-4-(pyridin-3-ylmethoxycarbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide (PubChem CID 59043575) has the molecular formula C17H15AcFN3O4- and a molecular weight of 571.32 g/mol. Its IUPAC name is actinium;[(5S)-3-[3-fluoro-4-(pyridin-3-ylmethoxycarbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide.

Molecular Properties

Compound Nameactinium;[(5S)-3-[3-fluoro-4-(pyridin-3-ylmethoxycarbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
PubChem CID59043575
Molecular FormulaC17H15AcFN3O4-
Molecular Weight571.32 g/mol
Exact Mass571.13
IUPAC Nameactinium;[(5S)-3-[3-fluoro-4-(pyridin-3-ylmethoxycarbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
SMILES[Ac].[NH-]C[C@H]1CN(c2ccc(C(=O)OCc3cccnc3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H15FN3O4.Ac/c18-15-6-12(21-9-13(7-19)25-17(21)23)3-4-14(15)16(22)24-10-11-2-1-5-20-8-11;/h1-6,8,13,19H,7,9-10H2;/q-1;/t13-;/m0./s1
InChIKeyHGWSFJBISKYZSL-ZOWNYOTGSA-N
XLogP2.96
TPSA92.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.32
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one
CID 129071185
actinium;[(5S)-3-[3-fluoro-4-(quinolin-3-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
CID 59043598
actinium;[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
CID 59043670
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide
CID 22966198
(5R)-3-[3-fluoro-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 25105384
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
2-fluoro-4-[(5S)-2-oxo-5-(2-oxopropyl)-1,3-oxazolidin-3-yl]benzohydrazide
CID 59905865
[3-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylimino-methyliminoazanium
CID 142236789
(2,3,4,5,6-pentafluorophenyl) 4-[(5S)-5-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoate
CID 22966216
benzyl N-benzyl-N-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]carbamate
CID 142673022
(5S)-3-[3-fluoro-4-[2-(pyridin-3-ylmethyl)-1,2,5-oxadiazepan-5-yl]phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 89067468
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522

Frequently Asked Questions

What is the IUPAC name of actinium;[(5S)-3-[3-fluoro-4-(pyridin-3-ylmethoxycarbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide?
The IUPAC name of actinium;[(5S)-3-[3-fluoro-4-(pyridin-3-ylmethoxycarbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide (CID 59043575) is actinium;[(5S)-3-[3-fluoro-4-(pyridin-3-ylmethoxycarbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide.
What is the SMILES notation for actinium;[(5S)-3-[3-fluoro-4-(pyridin-3-ylmethoxycarbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide?
The canonical SMILES for actinium;[(5S)-3-[3-fluoro-4-(pyridin-3-ylmethoxycarbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide is [Ac].[NH-]C[C@H]1CN(c2ccc(C(=O)OCc3cccnc3)c(F)c2)C(=O)O1.
What is the InChIKey of actinium;[(5S)-3-[3-fluoro-4-(pyridin-3-ylmethoxycarbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide?
The InChIKey is HGWSFJBISKYZSL-ZOWNYOTGSA-N. The full InChI is InChI=1S/C17H15FN3O4.Ac/c18-15-6-12(21-9-13(7-19)25-17(21)23)3-4-14(15)16(22)24-10-11-2-1-5-20-8-11;/h1-6,8,13,19H,7,9-10H2;/q-1;/t13-;/m0./s1.
What are the key properties of actinium;[(5S)-3-[3-fluoro-4-(pyridin-3-ylmethoxycarbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide?
actinium;[(5S)-3-[3-fluoro-4-(pyridin-3-ylmethoxycarbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide has a molecular weight of 571.32 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[(5S)-3-[3-fluoro-4-(pyridin-3-ylmethoxycarbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide is sourced from PubChem (CID 59043575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).