3-pyridin-2-yl-1,2-oxazole-5-carbonyl chloride

C9H5ClN2O2 — CID 82371405

IUPAC3-pyridin-2-yl-1,2-oxazole-5-carbonyl chloride
SMILESO=C(Cl)c1cc(-c2ccccn2)no1
InChIInChI=1S/C9H5ClN2O2/c10-9(13)8-5-7(12-14-8)6-3-1-2-4-11-6/h1-5H
InChIKeyTXDGXYCUWJQUJT-UHFFFAOYSA-N
MW208.60 g/mol
LogP2.12
Rot. Bonds2

About 3-pyridin-2-yl-1,2-oxazole-5-carbonyl chloride

3-pyridin-2-yl-1,2-oxazole-5-carbonyl chloride (PubChem CID 82371405) has the molecular formula C9H5ClN2O2 and a molecular weight of 208.60 g/mol. Its IUPAC name is 3-pyridin-2-yl-1,2-oxazole-5-carbonyl chloride.

Molecular Properties

Compound Name3-pyridin-2-yl-1,2-oxazole-5-carbonyl chloride
PubChem CID82371405
Molecular FormulaC9H5ClN2O2
Molecular Weight208.60 g/mol
Exact Mass208.00
IUPAC Name3-pyridin-2-yl-1,2-oxazole-5-carbonyl chloride
SMILESO=C(Cl)c1cc(-c2ccccn2)no1
InChIInChI=1S/C9H5ClN2O2/c10-9(13)8-5-7(12-14-8)6-3-1-2-4-11-6/h1-5H
InChIKeyTXDGXYCUWJQUJT-UHFFFAOYSA-N
XLogP2.12
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.60
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

5-[(E)-1-fluoroprop-1-enyl]-3-pyridin-2-yl-1,2-oxazole
CID 173227081
4-azatricyclo[5.2.1.02,6]decan-4-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 128536760
(2S)-3-methyl-2-[(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 119359709
3-pyridin-2-yl-N-(1,2,5-thiadiazol-3-yl)-1,2-oxazole-5-carboxamide
CID 166337258
3-(3-bromophenyl)-1,2-oxazole-5-carbonyl chloride
CID 82371429
(3S,4S)-4-methyl-1-(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 122112227
N-(1-benzylpyrazol-4-yl)-3-pyridin-2-yl-1,2-oxazole-5-carboxamide
CID 156596105
3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 167798280
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone;dihydrochloride
CID 120806988
(4-cyclopentyl-1,4-diazepan-1-yl)-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 71925428
3-(4-tert-butylphenyl)-1,2-oxazole-5-carbonyl chloride
CID 82371280
[(2S)-2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 129358849

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-1,2-oxazole-5-carbonyl chloride?
The IUPAC name of 3-pyridin-2-yl-1,2-oxazole-5-carbonyl chloride (CID 82371405) is 3-pyridin-2-yl-1,2-oxazole-5-carbonyl chloride.
What is the SMILES notation for 3-pyridin-2-yl-1,2-oxazole-5-carbonyl chloride?
The canonical SMILES for 3-pyridin-2-yl-1,2-oxazole-5-carbonyl chloride is O=C(Cl)c1cc(-c2ccccn2)no1.
What is the InChIKey of 3-pyridin-2-yl-1,2-oxazole-5-carbonyl chloride?
The InChIKey is TXDGXYCUWJQUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O2/c10-9(13)8-5-7(12-14-8)6-3-1-2-4-11-6/h1-5H.
What are the key properties of 3-pyridin-2-yl-1,2-oxazole-5-carbonyl chloride?
3-pyridin-2-yl-1,2-oxazole-5-carbonyl chloride has a molecular weight of 208.60 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-1,2-oxazole-5-carbonyl chloride is sourced from PubChem (CID 82371405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).