ethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate

C12H13N3O3 — CID 79492611

IUPACethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCc2ccon2)nc1
InChIInChI=1S/C12H13N3O3/c1-2-17-12(16)9-3-4-11(13-7-9)14-8-10-5-6-18-15-10/h3-7H,2,8H2,1H3,(H,13,14)
InChIKeySYMYBPHZNGBZIT-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.86
Rot. Bonds5

About ethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate

ethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate (PubChem CID 79492611) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is ethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate
PubChem CID79492611
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Nameethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCc2ccon2)nc1
InChIInChI=1S/C12H13N3O3/c1-2-17-12(16)9-3-4-11(13-7-9)14-8-10-5-6-18-15-10/h3-7H,2,8H2,1H3,(H,13,14)
InChIKeySYMYBPHZNGBZIT-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate
CID 106400737
ethyl 3-amino-4-(1,2-oxazol-3-ylmethylamino)benzoate
CID 81177419
ethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate
CID 104577452
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
ethyl 6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridine-3-carboxylate
CID 133440185
ethyl 6-[[2-(dimethylamino)-4-pyridinyl]methylamino]pyridine-3-carboxylate
CID 37297447
ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate
CID 43532828
ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43243884
ethyl 6-[(5-amino-1H-pyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 79530640
methyl 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylate
CID 81170020
ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate
CID 55108410
ethyl 6-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylate
CID 62048016

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate (CID 79492611) is ethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate is CCOC(=O)c1ccc(NCc2ccon2)nc1.
What is the InChIKey of ethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate?
The InChIKey is SYMYBPHZNGBZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-2-17-12(16)9-3-4-11(13-7-9)14-8-10-5-6-18-15-10/h3-7H,2,8H2,1H3,(H,13,14).
What are the key properties of ethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate?
ethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate is sourced from PubChem (CID 79492611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).