methyl 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylate

C12H13N3O3 — CID 81170020

IUPACmethyl 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CNCc2ccon2)nc1
InChIInChI=1S/C12H13N3O3/c1-17-12(16)9-2-3-10(14-6-9)7-13-8-11-4-5-18-15-11/h2-6,13H,7-8H2,1H3
InChIKeyAYZIWKFHQULICV-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.15
Rot. Bonds5

About methyl 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylate

methyl 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylate (PubChem CID 81170020) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is methyl 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylate
PubChem CID81170020
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Namemethyl 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CNCc2ccon2)nc1
InChIInChI=1S/C12H13N3O3/c1-17-12(16)9-2-3-10(14-6-9)7-13-8-11-4-5-18-15-11/h2-6,13H,7-8H2,1H3
InChIKeyAYZIWKFHQULICV-UHFFFAOYSA-N
XLogP1.15
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylic acid
CID 81177066
methyl 6-[(2-methylprop-2-enylamino)methyl]pyridine-3-carboxylate
CID 114616881
methyl 6-[(pyridazin-3-ylmethylamino)methyl]pyridine-3-carboxylate
CID 106895872
methyl 6-[[(2-hydroxy-3-methylbutyl)amino]methyl]pyridine-3-carboxylate
CID 113492195
methyl 6-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]pyridine-3-carboxylate
CID 115359742
methyl 6-[[(4-methyl-3-pyridinyl)methylamino]methyl]pyridine-3-carboxylate
CID 114955599
ethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate
CID 79492611
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362
methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
methyl 6-[(3-ethylsulfanylpropylamino)methyl]pyridine-3-carboxylate
CID 114248126
methyl 6-(acetyloxymethyl)pyridine-3-carboxylate
CID 10353032
methyl 6-[(2-methylpropoxyamino)methyl]pyridine-3-carboxylate
CID 82715949

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylate (CID 81170020) is methyl 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylate is COC(=O)c1ccc(CNCc2ccon2)nc1.
What is the InChIKey of methyl 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylate?
The InChIKey is AYZIWKFHQULICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-17-12(16)9-2-3-10(14-6-9)7-13-8-11-4-5-18-15-11/h2-6,13H,7-8H2,1H3.
What are the key properties of methyl 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylate?
methyl 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylate is sourced from PubChem (CID 81170020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).