[5-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carboximidoyl]iminoazanium

C16H15FN5O3+ — CID 145385856

IUPAC[5-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carboximidoyl]iminoazanium
SMILES[H]/N=C(\N=[NH2+])c1ccc(-c2ccc(N3C[C@H](CO)OC3=O)cc2F)cn1
InChIInChI=1S/C16H14FN5O3/c17-13-5-10(22-7-11(8-23)25-16(22)24)2-3-12(13)9-1-4-14(20-6-9)15(18)21-19/h1-6,11,18-19,23H,7-8H2/p+1/b18-15-,21-19?/t11-/m1/s1
InChIKeyHBHKRFQTJGKMPX-FYGJGTKYSA-O
MW344.33 g/mol
LogP0.74
Rot. Bonds4

About [5-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carboximidoyl]iminoazanium

[5-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carboximidoyl]iminoazanium (PubChem CID 145385856) has the molecular formula C16H15FN5O3+ and a molecular weight of 344.33 g/mol. Its IUPAC name is [5-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carboximidoyl]iminoazanium.

Molecular Properties

Compound Name[5-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carboximidoyl]iminoazanium
PubChem CID145385856
Molecular FormulaC16H15FN5O3+
Molecular Weight344.33 g/mol
Exact Mass344.12
IUPAC Name[5-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carboximidoyl]iminoazanium
SMILES[H]/N=C(\N=[NH2+])c1ccc(-c2ccc(N3C[C@H](CO)OC3=O)cc2F)cn1
InChIInChI=1S/C16H14FN5O3/c17-13-5-10(22-7-11(8-23)25-16(22)24)2-3-12(13)9-1-4-14(20-6-9)15(18)21-19/h1-6,11,18-19,23H,7-8H2/p+1/b18-15-,21-19?/t11-/m1/s1
InChIKeyHBHKRFQTJGKMPX-FYGJGTKYSA-O
XLogP0.74
TPSA124.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[amino(methyl)amino]-5-[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carboximidamide
CID 145042320
N'-[amino(methyl)amino]-5-[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carboximidamide;ethane
CID 145042319
3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 72791370
3-[3-fluoro-4-[6-(triazol-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 72752230
(5R)-3-[3-fluoro-4-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 11440117
3-[3-fluoro-4-[6-[(1-methyltriazol-4-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 78105087
5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one
CID 129071143
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one
CID 129071122
(5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 59264706
(5S)-3-[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 166997316
(5S)-3-[4-[6-(2-ethyltetrazol-5-yl)-3-pyridinyl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;phosphoric acid
CID 175794028
(5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one
CID 129071185

Frequently Asked Questions

What is the IUPAC name of [5-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carboximidoyl]iminoazanium?
The IUPAC name of [5-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carboximidoyl]iminoazanium (CID 145385856) is [5-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carboximidoyl]iminoazanium.
What is the SMILES notation for [5-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carboximidoyl]iminoazanium?
The canonical SMILES for [5-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carboximidoyl]iminoazanium is [H]/N=C(\N=[NH2+])c1ccc(-c2ccc(N3C[C@H](CO)OC3=O)cc2F)cn1.
What is the InChIKey of [5-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carboximidoyl]iminoazanium?
The InChIKey is HBHKRFQTJGKMPX-FYGJGTKYSA-O. The full InChI is InChI=1S/C16H14FN5O3/c17-13-5-10(22-7-11(8-23)25-16(22)24)2-3-12(13)9-1-4-14(20-6-9)15(18)21-19/h1-6,11,18-19,23H,7-8H2/p+1/b18-15-,21-19?/t11-/m1/s1.
What are the key properties of [5-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carboximidoyl]iminoazanium?
[5-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carboximidoyl]iminoazanium has a molecular weight of 344.33 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carboximidoyl]iminoazanium is sourced from PubChem (CID 145385856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).