N'-[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-hydroxymethanimidamide

C11H12FN3O4 — CID 143963568

IUPACN'-[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-hydroxymethanimidamide
SMILESO=C1OC(CO)CN1c1ccc(/N=C/NO)c(F)c1
InChIInChI=1S/C11H12FN3O4/c12-9-3-7(1-2-10(9)13-6-14-18)15-4-8(5-16)19-11(15)17/h1-3,6,8,16,18H,4-5H2,(H,13,14)
InChIKeyQBVFSOAJWWAEOZ-UHFFFAOYSA-N
MW269.23 g/mol
LogP0.78
Rot. Bonds4

About N'-[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-hydroxymethanimidamide

N'-[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-hydroxymethanimidamide (PubChem CID 143963568) has the molecular formula C11H12FN3O4 and a molecular weight of 269.23 g/mol. Its IUPAC name is N'-[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-hydroxymethanimidamide.

Molecular Properties

Compound NameN'-[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-hydroxymethanimidamide
PubChem CID143963568
Molecular FormulaC11H12FN3O4
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC NameN'-[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-hydroxymethanimidamide
SMILESO=C1OC(CO)CN1c1ccc(/N=C/NO)c(F)c1
InChIInChI=1S/C11H12FN3O4/c12-9-3-7(1-2-10(9)13-6-14-18)15-4-8(5-16)19-11(15)17/h1-3,6,8,16,18H,4-5H2,(H,13,14)
InChIKeyQBVFSOAJWWAEOZ-UHFFFAOYSA-N
XLogP0.78
TPSA94.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-fluoro-4-prop-2-enylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 91270425
2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzonitrile
CID 78008729
[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]boronic acid;methane
CID 145042333
3-[4-(2,5-dihydropyrrol-1-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 123927196
3-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 68698798
3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 54334011
(5R)-3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 101167179
3-[3-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 22943616
(5R)-3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 10566736
3-[3-fluoro-4-(3-methoxyazetidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 70196444
3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 126496189
N-[[(5S)-3-(4-azido-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide
CID 89363600

Frequently Asked Questions

What is the IUPAC name of N'-[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-hydroxymethanimidamide?
The IUPAC name of N'-[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-hydroxymethanimidamide (CID 143963568) is N'-[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-hydroxymethanimidamide.
What is the SMILES notation for N'-[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-hydroxymethanimidamide?
The canonical SMILES for N'-[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-hydroxymethanimidamide is O=C1OC(CO)CN1c1ccc(/N=C/NO)c(F)c1.
What is the InChIKey of N'-[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-hydroxymethanimidamide?
The InChIKey is QBVFSOAJWWAEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O4/c12-9-3-7(1-2-10(9)13-6-14-18)15-4-8(5-16)19-11(15)17/h1-3,6,8,16,18H,4-5H2,(H,13,14).
What are the key properties of N'-[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-hydroxymethanimidamide?
N'-[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-hydroxymethanimidamide has a molecular weight of 269.23 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-hydroxymethanimidamide is sourced from PubChem (CID 143963568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).