5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride

C8H4ClNO3 — CID 2795555

IUPAC5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride
SMILESO=C(Cl)c1cc(-c2ccco2)on1
InChIInChI=1S/C8H4ClNO3/c9-8(11)5-4-7(13-10-5)6-2-1-3-12-6/h1-4H
InChIKeyRCDNHOYZXMTBMF-UHFFFAOYSA-N
MW197.58 g/mol
LogP2.31
Rot. Bonds2

About 5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride

5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride (PubChem CID 2795555) has the molecular formula C8H4ClNO3 and a molecular weight of 197.58 g/mol. Its IUPAC name is 5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride.

Molecular Properties

Compound Name5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride
PubChem CID2795555
Molecular FormulaC8H4ClNO3
Molecular Weight197.58 g/mol
Exact Mass196.99
IUPAC Name5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride
SMILESO=C(Cl)c1cc(-c2ccco2)on1
InChIInChI=1S/C8H4ClNO3/c9-8(11)5-4-7(13-10-5)6-2-1-3-12-6/h1-4H
InChIKeyRCDNHOYZXMTBMF-UHFFFAOYSA-N
XLogP2.31
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.58
LogP ≤ 52.31
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-(furan-2-yl)-N-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 24739268
N-(3,4-dimethylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3244522
5-(furan-2-yl)-N-(3-iodophenyl)-1,2-oxazole-3-carboxamide
CID 24663749
2-chloro-N-[5-(furan-2-yl)-1,2-oxazol-3-yl]acetamide
CID 13376511
N-(5-bromo-2-hydroxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 15995144
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 47138249
5-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 79291054
5-(furan-2-yl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 15995731
4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-2,6-dione
CID 66083527
5-(furan-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2-oxazole-3-carboxamide
CID 78927797
5-(furan-2-yl)-N-(2-methoxypyrimidin-5-yl)-1,2-oxazole-3-carboxamide
CID 122301502
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone
CID 167750688

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride?
The IUPAC name of 5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride (CID 2795555) is 5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride.
What is the SMILES notation for 5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride?
The canonical SMILES for 5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride is O=C(Cl)c1cc(-c2ccco2)on1.
What is the InChIKey of 5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride?
The InChIKey is RCDNHOYZXMTBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClNO3/c9-8(11)5-4-7(13-10-5)6-2-1-3-12-6/h1-4H.
What are the key properties of 5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride?
5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride has a molecular weight of 197.58 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride is sourced from PubChem (CID 2795555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).