3-[4-[6-(aminomethyl)-3-pyridinyl]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C17H19N3O4 — CID 144656957

IUPAC3-[4-[6-(aminomethyl)-3-pyridinyl]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCOc1cc(-c2ccc(CN)nc2)ccc1N1CC(CO)OC1=O
InChIInChI=1S/C17H19N3O4/c1-23-16-6-11(12-2-4-13(7-18)19-8-12)3-5-15(16)20-9-14(10-21)24-17(20)22/h2-6,8,14,21H,7,9-10,18H2,1H3
InChIKeyJGSDZJLYPQYVEQ-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.53
Rot. Bonds5

About 3-[4-[6-(aminomethyl)-3-pyridinyl]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

3-[4-[6-(aminomethyl)-3-pyridinyl]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 144656957) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-[4-[6-(aminomethyl)-3-pyridinyl]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[6-(aminomethyl)-3-pyridinyl]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID144656957
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name3-[4-[6-(aminomethyl)-3-pyridinyl]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCOc1cc(-c2ccc(CN)nc2)ccc1N1CC(CO)OC1=O
InChIInChI=1S/C17H19N3O4/c1-23-16-6-11(12-2-4-13(7-18)19-8-12)3-5-15(16)20-9-14(10-21)24-17(20)22/h2-6,8,14,21H,7,9-10,18H2,1H3
InChIKeyJGSDZJLYPQYVEQ-UHFFFAOYSA-N
XLogP1.53
TPSA97.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-[6-(aminomethyl)-3-pyridinyl]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

ethane;[3-[5-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-methoxyphenyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphite
CID 144656972
(5R)-5-(azidomethyl)-3-[4-[4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-methoxyphenyl]-2-methoxyphenyl]-1,3-oxazolidin-2-one
CID 10027664
1-(5-bromo-2-pyridinyl)-4-methylpiperazine;ethane;5-(hydroxymethyl)-3-[2-methoxy-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
CID 144656961
5-(hydroxymethyl)-3-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 130413931
3-[4-[(2,6-dichlorophenyl)methoxy]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 170608820
5-(aminomethyl)-3-(4,5-dimethoxy-2-methylphenyl)-1,3-oxazolidin-2-one
CID 116838104
(3R,3aS)-3-(hydroxymethyl)-7-[6-[(5S)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one
CID 71601236
5-(hydroxymethyl)-3-[4-(methoxyamino)phenyl]-1,3-oxazolidin-2-one
CID 143663891
5-(hydroxymethyl)-3-(2-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 19773689
(5S)-5-(aminomethyl)-3-[2-methyl-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
CID 71064226
5-(aminomethyl)-3-(2,5-difluoro-4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 116838121
3-[3-fluoro-4-(3-methoxyazetidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 70196444

Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-(aminomethyl)-3-pyridinyl]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[6-(aminomethyl)-3-pyridinyl]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 144656957) is 3-[4-[6-(aminomethyl)-3-pyridinyl]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[6-(aminomethyl)-3-pyridinyl]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[6-(aminomethyl)-3-pyridinyl]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is COc1cc(-c2ccc(CN)nc2)ccc1N1CC(CO)OC1=O.
What is the InChIKey of 3-[4-[6-(aminomethyl)-3-pyridinyl]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is JGSDZJLYPQYVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-23-16-6-11(12-2-4-13(7-18)19-8-12)3-5-15(16)20-9-14(10-21)24-17(20)22/h2-6,8,14,21H,7,9-10,18H2,1H3.
What are the key properties of 3-[4-[6-(aminomethyl)-3-pyridinyl]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
3-[4-[6-(aminomethyl)-3-pyridinyl]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 329.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-(aminomethyl)-3-pyridinyl]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 144656957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).