5-(aminomethyl)-3-[3-fluoro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,3-oxazolidin-2-one

C16H14FN5O2 — CID 129071232

IUPAC5-(aminomethyl)-3-[3-fluoro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,3-oxazolidin-2-one
SMILESNCC1CN(c2ccc(-c3ccc4nncn4c3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H14FN5O2/c17-14-5-11(22-8-12(6-18)24-16(22)23)2-3-13(14)10-1-4-15-20-19-9-21(15)7-10/h1-5,7,9,12H,6,8,18H2
InChIKeyQFZIXSPBILNTNG-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.82
Rot. Bonds3

About 5-(aminomethyl)-3-[3-fluoro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,3-oxazolidin-2-one

5-(aminomethyl)-3-[3-fluoro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 129071232) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is 5-(aminomethyl)-3-[3-fluoro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-[3-fluoro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,3-oxazolidin-2-one
PubChem CID129071232
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC Name5-(aminomethyl)-3-[3-fluoro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,3-oxazolidin-2-one
SMILESNCC1CN(c2ccc(-c3ccc4nncn4c3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H14FN5O2/c17-14-5-11(22-8-12(6-18)24-16(22)23)2-3-13(14)10-1-4-15-20-19-9-21(15)7-10/h1-5,7,9,12H,6,8,18H2
InChIKeyQFZIXSPBILNTNG-UHFFFAOYSA-N
XLogP1.82
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-5-(aminomethyl)-3-[3-fluoro-4-(furan-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 129070942
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzenesulfonamide
CID 129070939
(5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one
CID 129071185
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
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
(5S)-5-(aminomethyl)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 44607680
5-(aminomethyl)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 68676117
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide
CID 22966198
5-(aminomethyl)-3-[3-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 142879229
5-(aminomethyl)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 22943658
4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide
CID 158273364

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-[3-fluoro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-[3-fluoro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,3-oxazolidin-2-one (CID 129071232) is 5-(aminomethyl)-3-[3-fluoro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-[3-fluoro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-[3-fluoro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,3-oxazolidin-2-one is NCC1CN(c2ccc(-c3ccc4nncn4c3)c(F)c2)C(=O)O1.
What is the InChIKey of 5-(aminomethyl)-3-[3-fluoro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is QFZIXSPBILNTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c17-14-5-11(22-8-12(6-18)24-16(22)23)2-3-13(14)10-1-4-15-20-19-9-21(15)7-10/h1-5,7,9,12H,6,8,18H2.
What are the key properties of 5-(aminomethyl)-3-[3-fluoro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-[3-fluoro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 327.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-[3-fluoro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 129071232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).