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

C11H11N3O3 — CID 81177066

IUPAC6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(CNCc2ccon2)nc1
InChIInChI=1S/C11H11N3O3/c15-11(16)8-1-2-9(13-5-8)6-12-7-10-3-4-17-14-10/h1-5,12H,6-7H2,(H,15,16)
InChIKeyUTVQBKGATPZCRD-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.06
Rot. Bonds5

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

6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylic acid (PubChem CID 81177066) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylic acid
PubChem CID81177066
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(CNCc2ccon2)nc1
InChIInChI=1S/C11H11N3O3/c15-11(16)8-1-2-9(13-5-8)6-12-7-10-3-4-17-14-10/h1-5,12H,6-7H2,(H,15,16)
InChIKeyUTVQBKGATPZCRD-UHFFFAOYSA-N
XLogP1.06
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylate
CID 81170020
4-[2-(1,2-oxazol-3-ylmethylamino)ethoxy]benzoic acid
CID 103259736
4-(1,2-oxazol-3-ylmethylamino)benzoic acid
CID 81178228
2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325404
6-[[(4-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylic acid
CID 106133497
6-(hydroxysulfanylmethyl)pyridine-3-carboxylic acid
CID 174194628
6-[[(1-cyclopropylcyclopropyl)methylamino]methyl]pyridine-3-carboxylic acid
CID 114095896
6-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride
CID 71741681
6-[[(4-methoxy-3-methylphenyl)methylamino]methyl]pyridine-3-carboxylic acid
CID 166258581
[5-[(1,2-oxazol-3-ylmethylamino)methyl]furan-2-yl]methanol
CID 79496028
6-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]pyridine-3-carboxylic acid
CID 114127595
6-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]pyridine-3-carboxylic acid
CID 113405119

Frequently Asked Questions

What is the IUPAC name of 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylic acid (CID 81177066) is 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(CNCc2ccon2)nc1.
What is the InChIKey of 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylic acid?
The InChIKey is UTVQBKGATPZCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c15-11(16)8-1-2-9(13-5-8)6-12-7-10-3-4-17-14-10/h1-5,12H,6-7H2,(H,15,16).
What are the key properties of 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylic acid?
6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 81177066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).