2-[2-(hydroxyamino)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid

C9H7N3O4 — CID 137218916

IUPAC2-[2-(hydroxyamino)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(-c2ccnc(NO)c2)n1
InChIInChI=1S/C9H7N3O4/c13-9(14)6-4-16-8(11-6)5-1-2-10-7(3-5)12-15/h1-4,15H,(H,10,12)(H,13,14)
InChIKeyVVJICAAZYOORGM-UHFFFAOYSA-N
MW221.17 g/mol
LogP1.24
Rot. Bonds3

About 2-[2-(hydroxyamino)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid

2-[2-(hydroxyamino)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 137218916) has the molecular formula C9H7N3O4 and a molecular weight of 221.17 g/mol. Its IUPAC name is 2-[2-(hydroxyamino)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(hydroxyamino)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
PubChem CID137218916
Molecular FormulaC9H7N3O4
Molecular Weight221.17 g/mol
Exact Mass221.04
IUPAC Name2-[2-(hydroxyamino)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(-c2ccnc(NO)c2)n1
InChIInChI=1S/C9H7N3O4/c13-9(14)6-4-16-8(11-6)5-1-2-10-7(3-5)12-15/h1-4,15H,(H,10,12)(H,13,14)
InChIKeyVVJICAAZYOORGM-UHFFFAOYSA-N
XLogP1.24
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
CID 146599020
2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
CID 155483929
2-[2-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
CID 77492295
2-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazole-4-carboxylic acid
CID 62234498
2-(2-methylsulfonylpyrimidin-5-yl)-1,3-oxazole-4-carboxylic acid
CID 139295221
2-(2-amino-4-pyridinyl)-N-ethyl-1,3-oxazole-4-carboxamide
CID 142161933
2-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylic acid
CID 88510664
methyl 2-[2-[(2-nitrophenoxy)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylate
CID 129015457
2-(2,3,5,6-tetramethylphenyl)-1,3-oxazole-4-carboxylic acid
CID 82478867
2-(4-cyanophenyl)-1,3-oxazole-4-carboxylic acid
CID 62234615
2-[2-[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
CID 118061655
lithium;1-[2-(2-fluoro-4-pyridinyl)-1,3-oxazol-4-yl]ethanone;2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;1-[2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazol-4-yl]ethanone;trans-(1S,2S)-2-methylcyclohexan-1-amine;hydroxide;hydrate
CID 167633524

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxyamino)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[2-(hydroxyamino)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid (CID 137218916) is 2-[2-(hydroxyamino)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(hydroxyamino)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(hydroxyamino)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(-c2ccnc(NO)c2)n1.
What is the InChIKey of 2-[2-(hydroxyamino)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is VVJICAAZYOORGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O4/c13-9(14)6-4-16-8(11-6)5-1-2-10-7(3-5)12-15/h1-4,15H,(H,10,12)(H,13,14).
What are the key properties of 2-[2-(hydroxyamino)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid?
2-[2-(hydroxyamino)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 221.17 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxyamino)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 137218916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).