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

C13H12AcFN6O3- — CID 59043670

IUPACactinium;[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
SMILES[Ac].[NH-]C[C@H]1CN(c2ccc(C(=O)Nc3ncn[nH]3)c(F)c2)C(=O)O1
InChIInChI=1S/C13H12FN6O3.Ac/c14-10-3-7(20-5-8(4-15)23-13(20)22)1-2-9(10)11(21)18-12-16-6-17-19-12;/h1-3,6,8,15H,4-5H2,(H2,16,17,18,19,21);/q-1;/t8-;/m0./s1
InChIKeyZGMOOYNESFFJOY-QRPNPIFTSA-N
MW546.28 g/mol
LogP1.57
Rot. Bonds4

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

actinium;[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide (PubChem CID 59043670) has the molecular formula C13H12AcFN6O3- and a molecular weight of 546.28 g/mol. Its IUPAC name is actinium;[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide.

Molecular Properties

Compound Nameactinium;[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
PubChem CID59043670
Molecular FormulaC13H12AcFN6O3-
Molecular Weight546.28 g/mol
Exact Mass546.12
IUPAC Nameactinium;[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
SMILES[Ac].[NH-]C[C@H]1CN(c2ccc(C(=O)Nc3ncn[nH]3)c(F)c2)C(=O)O1
InChIInChI=1S/C13H12FN6O3.Ac/c14-10-3-7(20-5-8(4-15)23-13(20)22)1-2-9(10)11(21)18-12-16-6-17-19-12;/h1-3,6,8,15H,4-5H2,(H2,16,17,18,19,21);/q-1;/t8-;/m0./s1
InChIKeyZGMOOYNESFFJOY-QRPNPIFTSA-N
XLogP1.57
TPSA124.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

actinium;[(5S)-3-[3-fluoro-4-(quinolin-3-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
CID 59043598
4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1H-imidazol-2-yl)benzamide
CID 3006436
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide
CID 59043586
2-fluoro-4-[(5S)-2-oxo-5-(2-oxopropyl)-1,3-oxazolidin-3-yl]benzohydrazide
CID 59905865
actinium;[(5S)-3-[3-fluoro-4-(pyridin-3-ylmethoxycarbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
CID 59043575
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide
CID 22966198
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59905867
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
actinium;[(5R)-3-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
CID 86577446
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
[[4-[(5S)-5-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoyl]amino]thiourea
CID 22966220

Frequently Asked Questions

What is the IUPAC name of actinium;[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide?
The IUPAC name of actinium;[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide (CID 59043670) is actinium;[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide.
What is the SMILES notation for actinium;[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide?
The canonical SMILES for actinium;[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide is [Ac].[NH-]C[C@H]1CN(c2ccc(C(=O)Nc3ncn[nH]3)c(F)c2)C(=O)O1.
What is the InChIKey of actinium;[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide?
The InChIKey is ZGMOOYNESFFJOY-QRPNPIFTSA-N. The full InChI is InChI=1S/C13H12FN6O3.Ac/c14-10-3-7(20-5-8(4-15)23-13(20)22)1-2-9(10)11(21)18-12-16-6-17-19-12;/h1-3,6,8,15H,4-5H2,(H2,16,17,18,19,21);/q-1;/t8-;/m0./s1.
What are the key properties of actinium;[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide?
actinium;[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide has a molecular weight of 546.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide is sourced from PubChem (CID 59043670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).