3-[[5-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole

C16H15ClN4O2 — CID 71863997

IUPAC3-[[5-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(Cc2noc(C3(c4cccc(Cl)c4)CCC3)n2)no1
InChIInChI=1S/C16H15ClN4O2/c1-10-18-13(20-22-10)9-14-19-15(23-21-14)16(6-3-7-16)11-4-2-5-12(17)8-11/h2,4-5,8H,3,6-7,9H2,1H3
InChIKeyRLIIVQOFDFUMKF-UHFFFAOYSA-N
MW330.78 g/mol
LogP3.48
Rot. Bonds4

About 3-[[5-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole

3-[[5-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 71863997) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is 3-[[5-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[5-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
PubChem CID71863997
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC Name3-[[5-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(Cc2noc(C3(c4cccc(Cl)c4)CCC3)n2)no1
InChIInChI=1S/C16H15ClN4O2/c1-10-18-13(20-22-10)9-14-19-15(23-21-14)16(6-3-7-16)11-4-2-5-12(17)8-11/h2,4-5,8H,3,6-7,9H2,1H3
InChIKeyRLIIVQOFDFUMKF-UHFFFAOYSA-N
XLogP3.48
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[5-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole (CID 71863997) is 3-[[5-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[5-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[5-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(Cc2noc(C3(c4cccc(Cl)c4)CCC3)n2)no1.
What is the InChIKey of 3-[[5-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is RLIIVQOFDFUMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-10-18-13(20-22-10)9-14-19-15(23-21-14)16(6-3-7-16)11-4-2-5-12(17)8-11/h2,4-5,8H,3,6-7,9H2,1H3.
What are the key properties of 3-[[5-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole?
3-[[5-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 330.78 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 71863997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).