3-(1,2-oxazol-3-ylmethylamino)pyridine-4-carboxylic acid

C10H9N3O3 — CID 114288825

IUPAC3-(1,2-oxazol-3-ylmethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NCc1ccon1
InChIInChI=1S/C10H9N3O3/c14-10(15)8-1-3-11-6-9(8)12-5-7-2-4-16-13-7/h1-4,6,12H,5H2,(H,14,15)
InChIKeyGPLWYTUUYCNBLM-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.38
Rot. Bonds4

About 3-(1,2-oxazol-3-ylmethylamino)pyridine-4-carboxylic acid

3-(1,2-oxazol-3-ylmethylamino)pyridine-4-carboxylic acid (PubChem CID 114288825) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 3-(1,2-oxazol-3-ylmethylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(1,2-oxazol-3-ylmethylamino)pyridine-4-carboxylic acid
PubChem CID114288825
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name3-(1,2-oxazol-3-ylmethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NCc1ccon1
InChIInChI=1S/C10H9N3O3/c14-10(15)8-1-3-11-6-9(8)12-5-7-2-4-16-13-7/h1-4,6,12H,5H2,(H,14,15)
InChIKeyGPLWYTUUYCNBLM-UHFFFAOYSA-N
XLogP1.38
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(1,2-oxazol-3-ylmethylamino)benzoic acid
CID 81177559
2-(1,2-oxazol-3-ylmethylamino)-5-sulfamoylbenzoic acid
CID 81178457
3-[(4-methylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid
CID 114286469
3-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 105062601
2-amino-4-(1,2-oxazol-3-ylmethylamino)benzoic acid
CID 104500809
2-(1,2-oxazol-3-ylmethylamino)quinoline-3-carboxylic acid
CID 81173974
3-[[(Z,2Z)-2-(1-hydroxyethylidene)pent-3-enyl]amino]pyridine-4-carboxylic acid
CID 144656393
4-amino-2-(1,2-oxazol-3-ylmethylamino)benzamide
CID 81170408
3-[(2-methyl-1-benzofuran-6-yl)methylamino]pyridine-4-carboxylic acid
CID 134252737
2,5-dichloro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
CID 81176902
4-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid
CID 81244868
3-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-4-carboxylic acid
CID 103968372

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-3-ylmethylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-(1,2-oxazol-3-ylmethylamino)pyridine-4-carboxylic acid (CID 114288825) is 3-(1,2-oxazol-3-ylmethylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(1,2-oxazol-3-ylmethylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(1,2-oxazol-3-ylmethylamino)pyridine-4-carboxylic acid is O=C(O)c1ccncc1NCc1ccon1.
What is the InChIKey of 3-(1,2-oxazol-3-ylmethylamino)pyridine-4-carboxylic acid?
The InChIKey is GPLWYTUUYCNBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c14-10(15)8-1-3-11-6-9(8)12-5-7-2-4-16-13-7/h1-4,6,12H,5H2,(H,14,15).
What are the key properties of 3-(1,2-oxazol-3-ylmethylamino)pyridine-4-carboxylic acid?
3-(1,2-oxazol-3-ylmethylamino)pyridine-4-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-3-ylmethylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 114288825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).