[(5R)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylimino-iminoazanium

C14H13FN7O3+ — CID 142276605

IUPAC[(5R)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylimino-iminoazanium
SMILESN=[N+]=NC[C@H]1CN(c2ccc(-n3cnc(/C=N/O)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C14H12FN7O3/c15-12-3-10(22-7-11(5-18-20-16)25-14(22)23)1-2-13(12)21-6-9(4-19-24)17-8-21/h1-4,6,8,11,16H,5,7H2/p+1/b19-4+/t11-/m0/s1
InChIKeyWJFMBSGNGIPUGF-CNGVDHBKSA-O
MW346.30 g/mol
LogP1.70
Rot. Bonds5

About [(5R)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylimino-iminoazanium

[(5R)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylimino-iminoazanium (PubChem CID 142276605) has the molecular formula C14H13FN7O3+ and a molecular weight of 346.30 g/mol. Its IUPAC name is [(5R)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylimino-iminoazanium.

Molecular Properties

Compound Name[(5R)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylimino-iminoazanium
PubChem CID142276605
Molecular FormulaC14H13FN7O3+
Molecular Weight346.30 g/mol
Exact Mass346.11
IUPAC Name[(5R)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylimino-iminoazanium
SMILESN=[N+]=NC[C@H]1CN(c2ccc(-n3cnc(/C=N/O)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C14H12FN7O3/c15-12-3-10(22-7-11(5-18-20-16)25-14(22)23)1-2-13(12)21-6-9(4-19-24)17-8-21/h1-4,6,8,11,16H,5,7H2/p+1/b19-4+/t11-/m0/s1
InChIKeyWJFMBSGNGIPUGF-CNGVDHBKSA-O
XLogP1.70
TPSA130.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 59591365
5-(azidomethyl)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 18378824
5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one
CID 86648044
(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(1,2,4-triazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one
CID 25121946
N-[[(5S)-3-[3-fluoro-4-[4-(2-pyridin-2-ylethenyl)imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57235679
N-[[3-[4-(4-ethynylimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21255482
N-[[(5S)-3-[4-(4-cyanoimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10497540
(5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 71548966
(5R)-3-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-5-(tetrazol-2-ylmethyl)-1,3-oxazolidin-2-one
CID 69365238
3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 57128428
(5R)-5-(azidomethyl)-3-[3-fluoro-4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 58619742
(5R)-5-(azidomethyl)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 58681137

Frequently Asked Questions

What is the IUPAC name of [(5R)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylimino-iminoazanium?
The IUPAC name of [(5R)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylimino-iminoazanium (CID 142276605) is [(5R)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylimino-iminoazanium.
What is the SMILES notation for [(5R)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylimino-iminoazanium?
The canonical SMILES for [(5R)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylimino-iminoazanium is N=[N+]=NC[C@H]1CN(c2ccc(-n3cnc(/C=N/O)c3)c(F)c2)C(=O)O1.
What is the InChIKey of [(5R)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylimino-iminoazanium?
The InChIKey is WJFMBSGNGIPUGF-CNGVDHBKSA-O. The full InChI is InChI=1S/C14H12FN7O3/c15-12-3-10(22-7-11(5-18-20-16)25-14(22)23)1-2-13(12)21-6-9(4-19-24)17-8-21/h1-4,6,8,11,16H,5,7H2/p+1/b19-4+/t11-/m0/s1.
What are the key properties of [(5R)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylimino-iminoazanium?
[(5R)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylimino-iminoazanium has a molecular weight of 346.30 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylimino-iminoazanium is sourced from PubChem (CID 142276605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).