5-(5-cyclohexyloxypyrazin-2-yl)-3-methyl-1,2-oxazole-4-carbonyl chloride

C15H16ClN3O3 — CID 167131323

IUPAC5-(5-cyclohexyloxypyrazin-2-yl)-3-methyl-1,2-oxazole-4-carbonyl chloride
SMILESCc1noc(-c2cnc(OC3CCCCC3)cn2)c1C(=O)Cl
InChIInChI=1S/C15H16ClN3O3/c1-9-13(15(16)20)14(22-19-9)11-7-18-12(8-17-11)21-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3
InChIKeyYYEZGCXKMYIXDL-UHFFFAOYSA-N
MW321.76 g/mol
LogP3.53
Rot. Bonds4

About 5-(5-cyclohexyloxypyrazin-2-yl)-3-methyl-1,2-oxazole-4-carbonyl chloride

5-(5-cyclohexyloxypyrazin-2-yl)-3-methyl-1,2-oxazole-4-carbonyl chloride (PubChem CID 167131323) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is 5-(5-cyclohexyloxypyrazin-2-yl)-3-methyl-1,2-oxazole-4-carbonyl chloride.

Molecular Properties

Compound Name5-(5-cyclohexyloxypyrazin-2-yl)-3-methyl-1,2-oxazole-4-carbonyl chloride
PubChem CID167131323
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name5-(5-cyclohexyloxypyrazin-2-yl)-3-methyl-1,2-oxazole-4-carbonyl chloride
SMILESCc1noc(-c2cnc(OC3CCCCC3)cn2)c1C(=O)Cl
InChIInChI=1S/C15H16ClN3O3/c1-9-13(15(16)20)14(22-19-9)11-7-18-12(8-17-11)21-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3
InChIKeyYYEZGCXKMYIXDL-UHFFFAOYSA-N
XLogP3.53
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclohexyloxypyrazin-2-yl)-3-methyl-1,2-oxazole-4-carbonyl chloride?
The IUPAC name of 5-(5-cyclohexyloxypyrazin-2-yl)-3-methyl-1,2-oxazole-4-carbonyl chloride (CID 167131323) is 5-(5-cyclohexyloxypyrazin-2-yl)-3-methyl-1,2-oxazole-4-carbonyl chloride.
What is the SMILES notation for 5-(5-cyclohexyloxypyrazin-2-yl)-3-methyl-1,2-oxazole-4-carbonyl chloride?
The canonical SMILES for 5-(5-cyclohexyloxypyrazin-2-yl)-3-methyl-1,2-oxazole-4-carbonyl chloride is Cc1noc(-c2cnc(OC3CCCCC3)cn2)c1C(=O)Cl.
What is the InChIKey of 5-(5-cyclohexyloxypyrazin-2-yl)-3-methyl-1,2-oxazole-4-carbonyl chloride?
The InChIKey is YYEZGCXKMYIXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-9-13(15(16)20)14(22-19-9)11-7-18-12(8-17-11)21-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3.
What are the key properties of 5-(5-cyclohexyloxypyrazin-2-yl)-3-methyl-1,2-oxazole-4-carbonyl chloride?
5-(5-cyclohexyloxypyrazin-2-yl)-3-methyl-1,2-oxazole-4-carbonyl chloride has a molecular weight of 321.76 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclohexyloxypyrazin-2-yl)-3-methyl-1,2-oxazole-4-carbonyl chloride is sourced from PubChem (CID 167131323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).